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  1. .gitattributes +88 -0
  2. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/20260624_053439_ptyrad_log.txt +417 -0
  3. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/model_iter0100.hdf5 +3 -0
  4. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/objp_crop_08bit_iter0100.tif +0 -0
  5. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/simulation_data1__sample_000002.yaml +140 -0
  6. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/summary_convergence_iter0100.png +3 -0
  7. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/summary_forward_pass_iter0100.png +3 -0
  8. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/summary_pos_grouping.png +3 -0
  9. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/summary_probe_modes_real_amp_iter0100.png +3 -0
  10. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/summary_scan_pos_iter0100.png +3 -0
  11. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/20260624_053508_ptyrad_log.txt +417 -0
  12. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/model_iter0100.hdf5 +3 -0
  13. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/objp_crop_08bit_iter0100.tif +0 -0
  14. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/simulation_data1__sample_000004.yaml +140 -0
  15. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/summary_convergence_iter0100.png +3 -0
  16. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/summary_forward_pass_iter0100.png +3 -0
  17. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/summary_pos_grouping.png +3 -0
  18. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/summary_probe_modes_real_amp_iter0100.png +3 -0
  19. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/summary_scan_pos_iter0100.png +3 -0
  20. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06/20260624_053538_ptyrad_log.txt +417 -0
  21. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06/objp_crop_08bit_iter0100.tif +0 -0
  22. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06/simulation_data1__sample_000006.yaml +140 -0
  23. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344/20260624_053608_ptyrad_log.txt +417 -0
  24. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344/objp_crop_08bit_iter0100.tif +0 -0
  25. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344/simulation_data1__sample_000008.yaml +140 -0
  26. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/20260624_053622_ptyrad_log.txt +417 -0
  27. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/model_iter0100.hdf5 +3 -0
  28. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/objp_crop_08bit_iter0100.tif +0 -0
  29. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/simulation_data1__sample_000009.yaml +140 -0
  30. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/summary_convergence_iter0100.png +3 -0
  31. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/summary_forward_pass_iter0100.png +3 -0
  32. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/summary_pos_grouping.png +3 -0
  33. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/summary_probe_modes_real_amp_iter0100.png +3 -0
  34. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/summary_scan_pos_iter0100.png +3 -0
  35. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7..72e+07_phi56_117/20260624_053637_ptyrad_log.txt +417 -0
  36. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7..72e+07_phi56_117/model_iter0100.hdf5 +3 -0
  37. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7..72e+07_phi56_117/objp_crop_08bit_iter0100.tif +0 -0
  38. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7..72e+07_phi56_117/simulation_data1__sample_000010.yaml +140 -0
  39. ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7..72e+07_phi56_117/summary_convergence_iter0100.png +3 -0
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989
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992
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994
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995
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998
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999
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1000
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1001
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1002
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1003
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1004
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1005
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1006
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1007
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1008
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1009
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1010
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1011
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1012
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1013
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1014
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1015
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1016
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1017
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1018
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1019
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1020
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1021
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1022
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1023
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1024
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1025
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1026
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1027
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1028
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1029
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1030
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1031
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1032
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1033
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1034
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1035
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1036
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1037
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1038
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1039
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1040
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1041
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1042
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1043
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1044
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1045
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1046
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1047
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1048
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1049
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1050
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1051
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1052
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1053
+ ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data2__sample_000044/c30_small__simulation_data2__sample_000044_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-579_C12_-41.3_phi12_96.3_C21_851_phi21_37.7_C23_563_phi23_0.171_C30_1.05e+06_C32_.5e+06_phi56_236/model_iter0100.hdf5 filter=lfs diff=lfs merge=lfs -text
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/20260624_053439_ptyrad_log.txt ADDED
@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2026-06-24 05:34:37,885 - ### PtyRAD LoggingManager configuration ###
2
+ 2026-06-24 05:34:37,886 - log_file = 'ptyrad_log.txt'. If log_file = None, no log file will be created.
3
+ 2026-06-24 05:34:37,886 - log_dir = 'auto'. If log_dir = 'auto', then log will be saved to `output_path` or 'logs/'.
4
+ 2026-06-24 05:34:37,886 - flush_file = True. Automatically set to True if `log_file is not None`
5
+ 2026-06-24 05:34:37,886 - prefix_time = datetime. If true, preset strings ('date', 'time', 'datetime'), or a string of time format, a datetime str is prefixed to the `log_file`.
6
+ 2026-06-24 05:34:37,886 - prefix_jobid = '0'. If not 0, it'll be prefixed to the log file. This is used for hypertune mode with multiple GPUs.
7
+ 2026-06-24 05:34:37,886 - append_to_file = True. If true, logs will be appended to the existing file. If false, the log file will be overwritten.
8
+ 2026-06-24 05:34:37,886 - show_timestamp = True. If true, the printed information will contain a timestamp.
9
+ 2026-06-24 05:34:37,886 -
10
+ 2026-06-24 05:34:37,970 - ### Initializing HuggingFace accelerator ###
11
+ 2026-06-24 05:34:37,970 - Accelerator.distributed_type = DistributedType.NO
12
+ 2026-06-24 05:34:37,970 - Accelerator.num_process = 1
13
+ 2026-06-24 05:34:37,970 - Accelerator.mixed_precision = no
14
+ 2026-06-24 05:34:37,980 - 'accelerate' is available but NOT using distributed mode or mixed precision
15
+ 2026-06-24 05:34:37,980 - If you want to utilize 'accelerate' for multiGPU or mixed precision,
16
+ 2026-06-24 05:34:37,980 - Run `accelerate launch --multi_gpu --num_processes=2 --mixed_precision='no' -m ptyrad run <PTYRAD_ARGUMENTS> --gpuid 'acc'` in your terminal
17
+ 2026-06-24 05:34:37,980 -
18
+ 2026-06-24 05:34:37,980 - ### System information ###
19
+ 2026-06-24 05:34:37,980 - Platform: Linux-4.18.0-553.69.1.el8_10.x86_64-x86_64-with-glibc2.28
20
+ 2026-06-24 05:34:37,980 - Operating System: Linux 4.18.0-553.69.1.el8_10.x86_64
21
+ 2026-06-24 05:34:37,980 - OS Version: #1 SMP Thu Aug 7 18:10:00 EDT 2025
22
+ 2026-06-24 05:34:37,980 - Machine: x86_64
23
+ 2026-06-24 05:34:37,980 - Processor: x86_64
24
+ 2026-06-24 05:34:37,980 - Available CPU cores: 8
25
+ 2026-06-24 05:34:37,980 - SLURM-Allocated Total Memory: 78.12 GB
26
+ 2026-06-24 05:34:37,980 -
27
+ 2026-06-24 05:34:37,980 - ### GPU information ###
28
+ 2026-06-24 05:34:37,980 - CUDA Available: True
29
+ 2026-06-24 05:34:37,980 - CUDA Version: 13.0
30
+ 2026-06-24 05:34:37,981 - Available CUDA GPUs: ['NVIDIA A100 80GB PCIe']
31
+ 2026-06-24 05:34:37,981 - CUDA Compute Capability: ['8.0']
32
+ 2026-06-24 05:34:37,981 - INFO: For torch.compile with Triton, you'll need CUDA GPU with Compute Capability >= 7.0.
33
+ 2026-06-24 05:34:37,981 - In addition, Triton does not directly support Windows.
34
+ 2026-06-24 05:34:37,981 - For Windows users, please follow the instruction and download `triton-windows` from https://github.com/woct0rdho/triton-windows.
35
+ 2026-06-24 05:34:37,996 - MIG (Multi-Instance GPU) mode = False
36
+ 2026-06-24 05:34:37,996 - INFO: MIG splits a physical GPU into multiple GPU slices, but multiGPU does not support these MIG slices.
37
+ 2026-06-24 05:34:37,996 - In addition, multiGPU is currently only available on Linux due to the limited NCCL support.
38
+ 2026-06-24 05:34:37,996 - -> If you're doing normal reconstruction/hypertune, you can safely ignore this.
39
+ 2026-06-24 05:34:37,996 - -> If you want to do multiGPU, you must provide multiple 'full' GPUs that are not in MIG mode.
40
+ 2026-06-24 05:34:37,996 -
41
+ 2026-06-24 05:34:37,996 - ### Python information ###
42
+ 2026-06-24 05:34:37,998 - Python Executable: /home/tnguye11/anaconda3/envs/ptyrad/bin/python3.12
43
+ 2026-06-24 05:34:37,998 - Python Version: 3.12.13 | packaged by Anaconda, Inc. | (main, Mar 19 2026, 20:20:58) [GCC 14.3.0]
44
+ 2026-06-24 05:34:37,998 -
45
+ 2026-06-24 05:34:37,998 - ### Packages information ###
46
+ 2026-06-24 05:34:37,999 - Numpy Version (metadata): 2.4.6
47
+ 2026-06-24 05:34:38,000 - PyTorch Version (metadata): 2.12.0
48
+ 2026-06-24 05:34:38,000 - Optuna Version (metadata): 4.9.0
49
+ 2026-06-24 05:34:38,001 - Accelerate Version (metadata): 1.13.0
50
+ 2026-06-24 05:34:38,001 - PtyRAD Version (ptyrad/__init__.py): 1.0.0
51
+ 2026-06-24 05:34:38,002 - PtyRAD is located at: /home/tnguye11/anaconda3/envs/ptyrad/lib/python3.12/site-packages/ptyrad/__init__.py
52
+ 2026-06-24 05:34:38,002 -
53
+ 2026-06-24 05:34:38,002 - ### Loading params file ###
54
+ 2026-06-24 05:34:38,002 - params_path = /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/params/c30_small/simulation_data1__sample_000002.yaml
55
+ 2026-06-24 05:34:38,008 - validate = True: Filling defaults and validating the params file...
56
+ 2026-06-24 05:34:38,009 - Success! Params file validated and defaults applied.
57
+ 2026-06-24 05:34:38,009 -
58
+ 2026-06-24 05:34:38,009 - ### Setting GPU Device ###
59
+ 2026-06-24 05:34:38,010 - Selected GPU device: cuda:0 (NVIDIA A100 80GB PCIe)
60
+ 2026-06-24 05:34:38,010 -
61
+ 2026-06-24 05:34:38,010 - Random seed: 20261846 provided by params file
62
+ 2026-06-24 05:34:38,010 - ### Initializing Initializer ###
63
+ 2026-06-24 05:34:38,010 - init_params are displayed below:
64
+ 2026-06-24 05:34:38,010 - random_seed: 20261846
65
+ 2026-06-24 05:34:38,010 - probe_illum_type: electron
66
+ 2026-06-24 05:34:38,010 - probe_kv: 200.0
67
+ 2026-06-24 05:34:38,010 - probe_conv_angle: 12.791192054748535
68
+ 2026-06-24 05:34:38,010 - probe_aberrations: {'C10': -4.824, 'C12': 0.327, 'phi12': 59.698, 'C21': 134.821, 'phi21': 127.139, 'C23': 251.001, 'phi23': 21.108, 'C30': 2393991.0, 'C32': -5988.508, 'phi32': 313.77, 'C34': -4476.031, 'phi34': 67.073, 'C41': -304813.312, 'phi41': 327.112, 'C43': 364127.75, 'phi43': 77.758, 'C45': -97685.359, 'phi45': 184.903, 'C50': -410699616.0, 'C52': -18312922.0, 'phi52': 64.88, 'C54': -17729770.0, 'phi54': 177.945, 'C56': -5185558.0, 'phi56': 49.278}
69
+ 2026-06-24 05:34:38,010 - beam_kev: None
70
+ 2026-06-24 05:34:38,010 - probe_dRn: None
71
+ 2026-06-24 05:34:38,010 - probe_Rn: None
72
+ 2026-06-24 05:34:38,010 - probe_D_H: None
73
+ 2026-06-24 05:34:38,010 - probe_D_FZP: None
74
+ 2026-06-24 05:34:38,010 - probe_Ls: None
75
+ 2026-06-24 05:34:38,010 - meas_Npix: 128
76
+ 2026-06-24 05:34:38,010 - pos_N_scans: 256
77
+ 2026-06-24 05:34:38,010 - pos_N_scan_slow: 16
78
+ 2026-06-24 05:34:38,011 - pos_N_scan_fast: 16
79
+ 2026-06-24 05:34:38,011 - pos_scan_step_size: 0.4755619168281555
80
+ 2026-06-24 05:34:38,011 - meas_calibration: {'mode': 'kMax', 'value': 2.5}
81
+ 2026-06-24 05:34:38,011 - probe_pmode_max: 6
82
+ 2026-06-24 05:34:38,011 - probe_pmode_init_pows: [0.02]
83
+ 2026-06-24 05:34:38,011 - obj_omode_max: 1
84
+ 2026-06-24 05:34:38,011 - obj_omode_init_occu: {'occu_type': 'uniform', 'init_occu': None}
85
+ 2026-06-24 05:34:38,011 - obj_Nlayer: 1
86
+ 2026-06-24 05:34:38,011 - obj_slice_thickness: 20.0
87
+ 2026-06-24 05:34:38,011 - simu_Npix: None
88
+ 2026-06-24 05:34:38,011 - simu_match_mode: None
89
+ 2026-06-24 05:34:38,011 - meas_permute: None
90
+ 2026-06-24 05:34:38,011 - meas_reshape: [256, 128, 128]
91
+ 2026-06-24 05:34:38,011 - meas_flipT: [0, 0, 0]
92
+ 2026-06-24 05:34:38,011 - meas_crop: None
93
+ 2026-06-24 05:34:38,011 - meas_pad: None
94
+ 2026-06-24 05:34:38,011 - meas_resample: None
95
+ 2026-06-24 05:34:38,011 - meas_add_source_size: None
96
+ 2026-06-24 05:34:38,011 - meas_add_detector_blur: None
97
+ 2026-06-24 05:34:38,011 - meas_remove_neg_values: {'mode': 'clip_neg', 'value': None, 'force': False}
98
+ 2026-06-24 05:34:38,011 - meas_normalization: {'mode': 'max_at_one', 'value': None}
99
+ 2026-06-24 05:34:38,011 - meas_add_poisson_noise: None
100
+ 2026-06-24 05:34:38,011 - meas_export: None
101
+ 2026-06-24 05:34:38,011 - probe_permute: None
102
+ 2026-06-24 05:34:38,011 - probe_z_shift: None
103
+ 2026-06-24 05:34:38,011 - probe_normalization: {'mode': 'mean_total_ints', 'value': None}
104
+ 2026-06-24 05:34:38,011 - pos_scan_flipT: None
105
+ 2026-06-24 05:34:38,011 - pos_scan_affine: None
106
+ 2026-06-24 05:34:38,011 - pos_scan_rand_std: 0.15
107
+ 2026-06-24 05:34:38,011 - obj_z_crop: None
108
+ 2026-06-24 05:34:38,011 - obj_z_pad: None
109
+ 2026-06-24 05:34:38,011 - obj_z_resample: None
110
+ 2026-06-24 05:34:38,011 - meas_source: file
111
+ 2026-06-24 05:34:38,011 - meas_params: {'path': '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000002_measurement.h5', 'key': 'measurement', 'shape': None, 'offset': None, 'gap': None, 'selection': None, 'zarr_kwargs': None}
112
+ 2026-06-24 05:34:38,011 - probe_source: simu
113
+ 2026-06-24 05:34:38,011 - probe_params: None
114
+ 2026-06-24 05:34:38,011 - pos_source: simu
115
+ 2026-06-24 05:34:38,011 - pos_params: None
116
+ 2026-06-24 05:34:38,011 - obj_source: simu
117
+ 2026-06-24 05:34:38,011 - obj_params: None
118
+ 2026-06-24 05:34:38,011 - tilt_source: simu
119
+ 2026-06-24 05:34:38,012 - tilt_params: {'tilt_type': 'all', 'init_tilts': [[0, 0]]}
120
+ 2026-06-24 05:34:38,012 -
121
+ 2026-06-24 05:34:38,012 - ### Initializing cache ###
122
+ 2026-06-24 05:34:38,012 - use_cached_obj = False
123
+ 2026-06-24 05:34:38,012 - use_cached_probe = False
124
+ 2026-06-24 05:34:38,012 - use_cached_pos = False
125
+ 2026-06-24 05:34:38,012 -
126
+ 2026-06-24 05:34:38,012 - ### Initializing measurements ###
127
+ 2026-06-24 05:34:38,012 - Loading measurements from source = 'file'
128
+ 2026-06-24 05:34:38,012 - Detected measurement file type = '.h5'
129
+ 2026-06-24 05:34:38,089 - Original measurements dtype is float32, casting to float32 (single precision) for computational efficiency.
130
+ 2026-06-24 05:34:38,089 - Imported meausrements shape / dtype = (16, 16, 128, 128), dtype = float32
131
+ 2026-06-24 05:34:38,091 - Imported meausrements int. statistics (min, mean, max) = (0.0000, 0.0001, 0.0025)
132
+ 2026-06-24 05:34:38,091 - Reshaping measurements to shape = [256, 128, 128]
133
+ 2026-06-24 05:34:38,091 - Flipping measurements with [flipud, fliplr, transpose] = [0, 0, 0]
134
+ 2026-06-24 05:34:38,095 - No negative values found in measurements. Skipping non-neg correction.
135
+ 2026-06-24 05:34:38,095 - Normalizing measurements with mode = 'max_at_one' and value = 'None'
136
+ 2026-06-24 05:34:38,095 - Normalizing by max of the 2D mean pattern intensity: 0.0017028856
137
+ 2026-06-24 05:34:38,096 - meausrements shape / dtype = (256, 128, 128), dtype = float32
138
+ 2026-06-24 05:34:38,097 - meausrements int. statistics (min, mean, max) = (0.0000, 0.0356, 1.4864)
139
+ 2026-06-24 05:34:38,098 - No negative values found in measurements. Skipping non-neg correction.
140
+ 2026-06-24 05:34:38,099 - Pattern total int. statistics (min, mean, max) = (578.5764, 582.7809, 588.2803), with min/max = 98.4%
141
+ 2026-06-24 05:34:38,100 - Global meausrements int. statistics (min, mean, max) = (0.0000, 0.0356, 1.4864)
142
+ 2026-06-24 05:34:38,100 - measurements (N, Ky, Kx) = float32, (256, 128, 128)
143
+ 2026-06-24 05:34:38,100 -
144
+ 2026-06-24 05:34:38,100 - ### Setting up calibration ###
145
+ 2026-06-24 05:34:38,100 - meas_calibration mode = 'kMax', value = 2.5
146
+ 2026-06-24 05:34:38,101 - Using loaded raw averaged measurement (before crop/pad/resample) to fit RBF as a part of the meas calibration
147
+ 2026-06-24 05:34:38,101 - Radius of fitted bright field disk (RBF) = 13.04 px with meas_Npix = 128
148
+ 2026-06-24 05:34:38,101 - Suggested probe_mask_k radius (RBF*2/Npix) > 0.2037
149
+ 2026-06-24 05:34:38,101 - Fitting raw averaged measurement with center, radius, and Gaussian blur std as a sanity check
150
+ 2026-06-24 05:34:38,101 - Note that the fitted Gaussian blur std (detector blur) would be affected by overlapping Bragg disks
151
+ 2026-06-24 05:34:38,329 - Initial guess: center=(63.61, 63.63), radius=13.04, Gaussian blur std=0.50
152
+ 2026-06-24 05:34:38,341 - Final fit: center=(63.61, 63.63), radius=13.04, Gaussian blur std=0.66
153
+ 2026-06-24 05:34:38,341 - Using init_params, the inferred RBF (conv_angle / 1e3 * Npix * dx / wavelength) = 13.06 px with Npix = 128
154
+ 2026-06-24 05:34:38,341 - dx (real space pixel size of probe and object) set to 0.2000 Ang with Npix = 128
155
+ 2026-06-24 05:34:38,341 -
156
+ 2026-06-24 05:34:38,341 - ### Setting init_variables dict ###
157
+ 2026-06-24 05:34:38,341 - Derived values given input init_params:
158
+ 2026-06-24 05:34:38,341 - kv = 200.0 kV
159
+ 2026-06-24 05:34:38,341 - wavelength = 0.0251 Ang
160
+ 2026-06-24 05:34:38,341 - conv_angle = 12.791192054748535 mrad
161
+ 2026-06-24 05:34:38,341 - Npix = 128 px
162
+ 2026-06-24 05:34:38,341 - dk = 0.0391 Ang^-1
163
+ 2026-06-24 05:34:38,341 - kMax = 2.5000 Ang^-1
164
+ 2026-06-24 05:34:38,341 - da = 0.9797 mrad
165
+ 2026-06-24 05:34:38,341 - angleMax = 62.6984 mrad
166
+ 2026-06-24 05:34:38,341 - RBF = 13.0567 px (Inferred from the given calibration, NOT necessarily from the loaded measurement data)
167
+ 2026-06-24 05:34:38,341 - n_alpha = 4.9017 (# conv_angle)
168
+ 2026-06-24 05:34:38,341 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
169
+ 2026-06-24 05:34:38,342 - Rayleigh-limited resolution = 1.1960 Ang (0.61*lambda/alpha for focused probe )
170
+ 2026-06-24 05:34:38,342 - Real space probe extent = 25.6000 Ang
171
+ 2026-06-24 05:34:38,342 -
172
+ 2026-06-24 05:34:38,342 - ### Initializing probe ###
173
+ 2026-06-24 05:34:38,342 - Loading probe from source = 'simu'
174
+ 2026-06-24 05:34:38,342 - Using experimental parameters specified by 'init_params' for initial probe simulation.
175
+ 2026-06-24 05:34:38,342 - Start simulating STEM probe
176
+ 2026-06-24 05:34:38,342 - kv = 200.0 kV
177
+ 2026-06-24 05:34:38,342 - wavelength = 0.0251 Ang
178
+ 2026-06-24 05:34:38,342 - conv_angle = 12.791192054748535 mrad
179
+ 2026-06-24 05:34:38,342 - Npix = 128 px
180
+ 2026-06-24 05:34:38,342 - dk = 0.0391 Ang^-1
181
+ 2026-06-24 05:34:38,342 - kMax = 2.5000 Ang^-1
182
+ 2026-06-24 05:34:38,342 - alpha_max = 62.6984 mrad
183
+ 2026-06-24 05:34:38,342 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
184
+ 2026-06-24 05:34:38,342 - Rayleigh-limited resolution = 1.1960 Ang (0.61*lambda/alpha for focused probe )
185
+ 2026-06-24 05:34:38,342 - Real space probe extent = 25.6000 Ang
186
+ 2026-06-24 05:34:38,342 - Krivanek Haider Magnitude Angle (°) Description
187
+ 2026-06-24 05:34:38,342 - -------------------------------------------------------------------------------------
188
+ 2026-06-24 05:34:38,342 - C1,0 C1 -4.8240 - Defocus (C10 = -df)
189
+ 2026-06-24 05:34:38,342 - C1,2 A1 0.3270 59.70 2-fold astigmatism
190
+ 2026-06-24 05:34:38,342 - C2,1 3*B2 134.8210 127.14 Axial coma
191
+ 2026-06-24 05:34:38,342 - C2,3 A2 251.0010 21.11 3-fold astigmatism
192
+ 2026-06-24 05:34:38,342 - C3,0 C3 2393991.0000 - Spherical aberration
193
+ 2026-06-24 05:34:38,342 - C3,2 4*S3 -5988.5080 313.77 Axial star aberration
194
+ 2026-06-24 05:34:38,343 - C3,4 A3 -4476.0310 67.07 4-fold astigmatism
195
+ 2026-06-24 05:34:38,343 - C4,1 4*B4 -304813.3120 327.11 Axial coma(4th)
196
+ 2026-06-24 05:34:38,343 - C4,3 4*D4 364127.7500 77.76 3-lobe aberration
197
+ 2026-06-24 05:34:38,343 - C4,5 A4 -97685.3590 184.90 5-fold astigmatism
198
+ 2026-06-24 05:34:38,343 - C5,0 C5 -410699616.0000 - Spherical aberration (5th)
199
+ 2026-06-24 05:34:38,343 - C5,2 6*S5 -18312922.0000 64.88 Axial star aberration(5th)
200
+ 2026-06-24 05:34:38,343 - C5,4 6*R5 -17729770.0000 177.94 4-lobe aberration
201
+ 2026-06-24 05:34:38,343 - C5,6 A5 -5185558.0000 49.28 6-fold astigmatism
202
+ 2026-06-24 05:34:38,346 - Loaded probe shape = (1, 128, 128), dtype = complex128
203
+ 2026-06-24 05:34:38,346 - pmode_now: 1 and pmode_max: 6, padding the pmode.
204
+ 2026-06-24 05:34:38,346 - Creating 5 new probe modes from the major mode
205
+ 2026-06-24 05:34:38,346 - Start making mixed-state STEM probe with 6 incoherent probe modes
206
+ 2026-06-24 05:34:38,450 - Relative power of probe modes = [0.9 0.02 0.02 0.02 0.02 0.02]
207
+ 2026-06-24 05:34:38,450 - Orthogonalizing 6 pmodes
208
+ 2026-06-24 05:34:38,452 - Sorting 6 pmodes by their intensities
209
+ 2026-06-24 05:34:38,453 - Normalizing probe intensity with mode = 'mean_total_ints' and value = 'None'
210
+ 2026-06-24 05:34:38,454 - sum(|probe_data|**2) = 582.78, while meas_total_ints (min, mean, max) = (578.5764, 582.7809, 588.2803)
211
+ 2026-06-24 05:34:38,454 - probe (pmode, Ny, Nx) = complex64, (6, 128, 128)
212
+ 2026-06-24 05:34:38,454 -
213
+ 2026-06-24 05:34:38,454 - ### Initializing probe positions ###
214
+ 2026-06-24 05:34:38,454 - Loading probe positions from source = 'simu'
215
+ 2026-06-24 05:34:38,454 - Using experimental parameters specified by 'init_params' (dx, scan_step size, N_scan_slow, N_scan_fast) for initial position simulation.
216
+ 2026-06-24 05:34:38,454 - Simulating probe positions with dx = 0.2000, scan_step_size = 0.4756, N_scan_fast = 16, N_scan_slow = 16
217
+ 2026-06-24 05:34:38,454 - Applying Gaussian distributed random displacement with std = 0.15 px to scan positions
218
+ 2026-06-24 05:34:38,456 - crop_pos (N,2) = int16, (256, 2)
219
+ 2026-06-24 05:34:38,456 - crop_pos 1st and last px coords (y,x) = ([16, 16], [52, 52])
220
+ 2026-06-24 05:34:38,456 - crop_pos extent (Ang) = [7.2 7.2]
221
+ 2026-06-24 05:34:38,456 - probe_pos_shifts (N,2) = float32, (256, 2)
222
+ 2026-06-24 05:34:38,457 -
223
+ 2026-06-24 05:34:38,457 - ### Initializing object ###
224
+ 2026-06-24 05:34:38,457 - Loading object from source = 'simu'
225
+ 2026-06-24 05:34:38,457 - Using experimental parameters specified by 'init_params' for initial object simulation.
226
+ 2026-06-24 05:34:38,458 - omode_now: 1 and omode_max: 1, leaving the omode unchanged.
227
+ 2026-06-24 05:34:38,458 - object (omode, Nz, Ny, Nx) = complex64, (1, 1, 198, 198)
228
+ 2026-06-24 05:34:38,458 - object extent (Z, Y, X) (Ang) = [20. 39.6 39.6]
229
+ 2026-06-24 05:34:38,458 -
230
+ 2026-06-24 05:34:38,458 - ### Initializing omode_occu from 'uniform' ###
231
+ 2026-06-24 05:34:38,458 - omode_occu (omode) = float32, (1,)
232
+ 2026-06-24 05:34:38,458 -
233
+ 2026-06-24 05:34:38,458 - ### Initializing H (Fresnel propagator) ###
234
+ 2026-06-24 05:34:38,459 - Calculating H with probe_shape = (128, 128) px, dx = 0.2000 Ang, slice_thickness = 20.0000 Ang, lambd = 0.0251 Ang
235
+ 2026-06-24 05:34:38,459 - H (Ky, Kx) = complex64, (128, 128)
236
+ 2026-06-24 05:34:38,459 -
237
+ 2026-06-24 05:34:38,459 - ### Initializing obj tilts from = 'simu' ###
238
+ 2026-06-24 05:34:38,459 - Initialized obj_tilts with init_tilts = [[0, 0]] (theta_y, theta_x) mrad
239
+ 2026-06-24 05:34:38,459 - obj_tilts (N, 2) = float32, (1, 2)
240
+ 2026-06-24 05:34:38,459 -
241
+ 2026-06-24 05:34:38,459 - ### Checking consistency between input params with the initialized variables ###
242
+ 2026-06-24 05:34:38,459 - meas_Npix, simu_Npix, DP measurements, probe, and H shapes are consistent as '128'
243
+ 2026-06-24 05:34:38,459 - N_scans, len(meas), N_scan_slow*N_scan_fast, len(crop_pos), and len(probe_pos_shifts) are consistent as '256'
244
+ 2026-06-24 05:34:38,459 - obj.shape[0] is consistent with len(omode_occu) as '1'
245
+ 2026-06-24 05:34:38,460 - obj.shape[1] is consistent with Nlayer as '1'
246
+ 2026-06-24 05:34:38,460 - crop positions (yx_min=[16 16], yx_max=[180 180]) are well contained inside object canvas (Ny,Nx) = (198, 198).
247
+ 2026-06-24 05:34:38,460 - obj_tilts is consistent with either 1 or N_scans
248
+ 2026-06-24 05:34:38,460 - Pass the consistency check of initialized variables, initialization is done!
249
+ 2026-06-24 05:34:38,460 -
250
+ 2026-06-24 05:34:38,460 - ### Collecting reconstruction provenance ###
251
+ 2026-06-24 05:34:38,460 - Reconstruction provenance is collected and initialized.
252
+ 2026-06-24 05:34:38,460 -
253
+ 2026-06-24 05:34:38,460 - ### Initializing loss function ###
254
+ 2026-06-24 05:34:38,460 - Active loss types:
255
+ 2026-06-24 05:34:38,460 - loss_single : {'state': True, 'weight': 1.0, 'dp_pow': 0.5}
256
+ 2026-06-24 05:34:38,460 -
257
+ 2026-06-24 05:34:38,460 - ### Initializing constraint function ###
258
+ 2026-06-24 05:34:38,460 - Active constraint types:
259
+ 2026-06-24 05:34:38,460 - ortho_pmode : {'start_iter': 1, 'step': 1, 'end_iter': None}
260
+ 2026-06-24 05:34:38,460 - fix_probe_int : {'start_iter': 1, 'step': 1, 'end_iter': None}
261
+ 2026-06-24 05:34:38,461 - obj_zblur : {'start_iter': 1, 'step': 1, 'end_iter': None, 'obj_type': 'both', 'kernel_size': 5, 'std': 1.0}
262
+ 2026-06-24 05:34:38,461 - obja_thresh : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0, 'thresh': [0.96, 1.04]}
263
+ 2026-06-24 05:34:38,461 - pos_recenter : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0}
264
+ 2026-06-24 05:34:38,461 -
265
+ 2026-06-24 05:34:38,461 - ### Done initializing PtyRADSolver ###
266
+ 2026-06-24 05:34:38,461 -
267
+ 2026-06-24 05:34:38,586 - ### Starting the PtyRADSolver in reconstruct mode ###
268
+ 2026-06-24 05:34:38,586 -
269
+ 2026-06-24 05:34:38,587 - ### Initializing PtychoModel model ###
270
+ 2026-06-24 05:34:38,659 - ### PtychoModel optimizable variables ###
271
+ 2026-06-24 05:34:38,659 - obja : torch.Size([1, 1, 198, 198]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
272
+ 2026-06-24 05:34:38,659 - objp : torch.Size([1, 1, 198, 198]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
273
+ 2026-06-24 05:34:38,659 - obj_tilts : torch.Size([1, 2]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
274
+ 2026-06-24 05:34:38,659 - slice_thickness : torch.Size([]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
275
+ 2026-06-24 05:34:38,659 - probe : torch.Size([6, 128, 128, 2]) , torch.float32 , device:cuda:0, grad:True , lr:1e-04
276
+ 2026-06-24 05:34:38,659 - probe_pos_shifts: torch.Size([256, 2]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
277
+ 2026-06-24 05:34:38,659 -
278
+ 2026-06-24 05:34:38,659 - ### Optimizable variables statitsics ###
279
+ 2026-06-24 05:34:38,659 - Total measurement values : 4,194,304
280
+ 2026-06-24 05:34:38,659 - Total optimizing variables: 275,528
281
+ 2026-06-24 05:34:38,659 - Overdetermined ratio : 15.22
282
+ 2026-06-24 05:34:38,659 -
283
+ 2026-06-24 05:34:38,659 - ### Model behavior ###
284
+ 2026-06-24 05:34:38,659 - Tilt propagator : False
285
+ 2026-06-24 05:34:38,660 - Change slice thickness : False
286
+ 2026-06-24 05:34:38,660 - Detector blur : False
287
+ 2026-06-24 05:34:38,660 - Preload data : True
288
+ 2026-06-24 05:34:38,660 - On-the-fly meas padding : False
289
+ 2026-06-24 05:34:38,660 - On-the-fly meas resample : False
290
+ 2026-06-24 05:34:38,660 - On-the-fly simu match mode: None
291
+ 2026-06-24 05:34:38,660 -
292
+ 2026-06-24 05:34:38,701 - ### Done initializing PtychoModel model ###
293
+ 2026-06-24 05:34:38,702 -
294
+ 2026-06-24 05:34:38,702 - ### Creating PyTorch 'Adam' optimizer with configs = {} ###
295
+ 2026-06-24 05:34:38,702 -
296
+ 2026-06-24 05:34:38,702 - ### Generating indices, batches, and output_path ###
297
+ 2026-06-24 05:34:38,703 - d90 = 45.000 px or 9.000 Ang
298
+ 2026-06-24 05:34:38,703 - Selecting indices with the 'full' mode
299
+ 2026-06-24 05:34:39,161 - Generated 8 'random' groups of ~32 scan positions in 0.000 sec
300
+ 2026-06-24 05:34:39,236 - The effective batch size (i.e., how many probe positions are simultaneously used for 1 update of ptychographic parameters) is batch_size * grad_accumulation = 32 * 1 = 32
301
+ 2026-06-24 05:34:39,236 - Original recon_dir_affixes = ['default']
302
+ 2026-06-24 05:34:39,237 - Expanded recon_dir_affixes = ['indices', 'meas', 'batch', 'pmode', 'omode', 'nlayer', 'lr', 'model', 'constraint', 'loss', 'affine', 'tilt', 'aberrations']
303
+ 2026-06-24 05:34:39,243 - Path corrected for compatibility:
304
+ 2026-06-24 05:34:39,243 - Original: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32_314_C34_-4.48e+03_phi34_67.1_C41_-3.05e+05_phi41_327_C43_3.64e+05_phi43_77.8_C45_-9.77e+04_phi45_185_C50_-4.11e+08_C52_-1.83e+07_phi52_64.9_C54_-1.77e+07_phi54_178_C56_-5.19e+06_phi56_49.3
305
+ 2026-06-24 05:34:39,243 - Corrected: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3
306
+ 2026-06-24 05:34:39,244 - output_path = '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3' is generated!
307
+ 2026-06-24 05:34:39,397 -
308
+ 2026-06-24 05:34:39,398 - ### Log file is flushed (created) as /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000002/c30_small__simulation_data1__sample_000002_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-4.82_C12_0.327_phi12_59.7_C21_135_phi21_127_C23_251_phi23_21.1_C30_2.39e+06_C32_-5.99e+03_phi32.3/20260624_053439_ptyrad_log.txt ###
309
+ 2026-06-24 05:34:39,398 -
310
+ 2026-06-24 05:34:39,400 - ### Creating ConvergenceMonitor with {'tensors': ['obja', 'objp', 'probe', 'probe_pos_shifts'], 'every_n_iters': None, 'percentile_range': [15.0, 85.0]} ###
311
+ 2026-06-24 05:34:39,400 - ### Start the PtyRAD iterative ptycho reconstruction ###
312
+ 2026-06-24 05:34:39,400 - Setting up PyTorch compiler with {'fullgraph': False, 'dynamic': None, 'backend': 'inductor', 'mode': 'default', 'options': None, 'disable': True}
313
+ 2026-06-24 05:34:40,573 - Iter: 1, Total Loss: 0.8783, loss_single: 0.8783, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.433 sec
314
+ 2026-06-24 05:34:40,611 - Iter: 2, Total Loss: 0.8536, loss_single: 0.8536, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
315
+ 2026-06-24 05:34:40,647 - Iter: 3, Total Loss: 0.8352, loss_single: 0.8352, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
316
+ 2026-06-24 05:34:40,700 - Iter: 4, Total Loss: 0.8159, loss_single: 0.8159, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
317
+ 2026-06-24 05:34:40,735 - Iter: 5, Total Loss: 0.7939, loss_single: 0.7939, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
318
+ 2026-06-24 05:34:40,770 - Iter: 6, Total Loss: 0.7720, loss_single: 0.7720, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
319
+ 2026-06-24 05:34:40,806 - Iter: 7, Total Loss: 0.7499, loss_single: 0.7499, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
320
+ 2026-06-24 05:34:40,842 - Iter: 8, Total Loss: 0.7290, loss_single: 0.7290, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
321
+ 2026-06-24 05:34:40,877 - Iter: 9, Total Loss: 0.7123, loss_single: 0.7123, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
322
+ 2026-06-24 05:34:40,912 - Iter: 10, Total Loss: 0.6963, loss_single: 0.6963, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
323
+ 2026-06-24 05:34:40,947 - Iter: 11, Total Loss: 0.6788, loss_single: 0.6788, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
324
+ 2026-06-24 05:34:40,983 - Iter: 12, Total Loss: 0.6609, loss_single: 0.6609, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
325
+ 2026-06-24 05:34:41,018 - Iter: 13, Total Loss: 0.6436, loss_single: 0.6436, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
326
+ 2026-06-24 05:34:41,053 - Iter: 14, Total Loss: 0.6272, loss_single: 0.6272, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
327
+ 2026-06-24 05:34:41,088 - Iter: 15, Total Loss: 0.6106, loss_single: 0.6106, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
328
+ 2026-06-24 05:34:41,124 - Iter: 16, Total Loss: 0.5934, loss_single: 0.5934, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
329
+ 2026-06-24 05:34:41,159 - Iter: 17, Total Loss: 0.5780, loss_single: 0.5780, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
330
+ 2026-06-24 05:34:41,194 - Iter: 18, Total Loss: 0.5628, loss_single: 0.5628, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
331
+ 2026-06-24 05:34:41,229 - Iter: 19, Total Loss: 0.5466, loss_single: 0.5466, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
332
+ 2026-06-24 05:34:41,265 - Iter: 20, Total Loss: 0.5320, loss_single: 0.5320, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
333
+ 2026-06-24 05:34:41,300 - Iter: 21, Total Loss: 0.5164, loss_single: 0.5164, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
334
+ 2026-06-24 05:34:41,335 - Iter: 22, Total Loss: 0.5010, loss_single: 0.5010, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
335
+ 2026-06-24 05:34:41,371 - Iter: 23, Total Loss: 0.4863, loss_single: 0.4863, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
336
+ 2026-06-24 05:34:41,405 - Iter: 24, Total Loss: 0.4707, loss_single: 0.4707, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
337
+ 2026-06-24 05:34:41,440 - Iter: 25, Total Loss: 0.4543, loss_single: 0.4543, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
338
+ 2026-06-24 05:34:41,475 - Iter: 26, Total Loss: 0.4394, loss_single: 0.4394, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
339
+ 2026-06-24 05:34:41,511 - Iter: 27, Total Loss: 0.4282, loss_single: 0.4282, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
340
+ 2026-06-24 05:34:41,546 - Iter: 28, Total Loss: 0.4177, loss_single: 0.4177, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
341
+ 2026-06-24 05:34:41,581 - Iter: 29, Total Loss: 0.4071, loss_single: 0.4071, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
342
+ 2026-06-24 05:34:41,617 - Iter: 30, Total Loss: 0.3976, loss_single: 0.3976, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
343
+ 2026-06-24 05:34:41,652 - Iter: 31, Total Loss: 0.3865, loss_single: 0.3865, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
344
+ 2026-06-24 05:34:41,687 - Iter: 32, Total Loss: 0.3758, loss_single: 0.3758, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
345
+ 2026-06-24 05:34:41,722 - Iter: 33, Total Loss: 0.3677, loss_single: 0.3677, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
346
+ 2026-06-24 05:34:41,757 - Iter: 34, Total Loss: 0.3609, loss_single: 0.3609, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
347
+ 2026-06-24 05:34:41,793 - Iter: 35, Total Loss: 0.3544, loss_single: 0.3544, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
348
+ 2026-06-24 05:34:41,828 - Iter: 36, Total Loss: 0.3485, loss_single: 0.3485, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
349
+ 2026-06-24 05:34:41,863 - Iter: 37, Total Loss: 0.3427, loss_single: 0.3427, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
350
+ 2026-06-24 05:34:41,899 - Iter: 38, Total Loss: 0.3365, loss_single: 0.3365, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
351
+ 2026-06-24 05:34:41,934 - Iter: 39, Total Loss: 0.3316, loss_single: 0.3316, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
352
+ 2026-06-24 05:34:41,970 - Iter: 40, Total Loss: 0.3263, loss_single: 0.3263, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2026-06-24 05:35:07,173 - ### PtyRAD LoggingManager configuration ###
2
+ 2026-06-24 05:35:07,173 - log_file = 'ptyrad_log.txt'. If log_file = None, no log file will be created.
3
+ 2026-06-24 05:35:07,173 - log_dir = 'auto'. If log_dir = 'auto', then log will be saved to `output_path` or 'logs/'.
4
+ 2026-06-24 05:35:07,173 - flush_file = True. Automatically set to True if `log_file is not None`
5
+ 2026-06-24 05:35:07,173 - prefix_time = datetime. If true, preset strings ('date', 'time', 'datetime'), or a string of time format, a datetime str is prefixed to the `log_file`.
6
+ 2026-06-24 05:35:07,173 - prefix_jobid = '0'. If not 0, it'll be prefixed to the log file. This is used for hypertune mode with multiple GPUs.
7
+ 2026-06-24 05:35:07,173 - append_to_file = True. If true, logs will be appended to the existing file. If false, the log file will be overwritten.
8
+ 2026-06-24 05:35:07,173 - show_timestamp = True. If true, the printed information will contain a timestamp.
9
+ 2026-06-24 05:35:07,173 -
10
+ 2026-06-24 05:35:07,283 - ### Initializing HuggingFace accelerator ###
11
+ 2026-06-24 05:35:07,283 - Accelerator.distributed_type = DistributedType.NO
12
+ 2026-06-24 05:35:07,283 - Accelerator.num_process = 1
13
+ 2026-06-24 05:35:07,283 - Accelerator.mixed_precision = no
14
+ 2026-06-24 05:35:07,307 - 'accelerate' is available but NOT using distributed mode or mixed precision
15
+ 2026-06-24 05:35:07,307 - If you want to utilize 'accelerate' for multiGPU or mixed precision,
16
+ 2026-06-24 05:35:07,307 - Run `accelerate launch --multi_gpu --num_processes=2 --mixed_precision='no' -m ptyrad run <PTYRAD_ARGUMENTS> --gpuid 'acc'` in your terminal
17
+ 2026-06-24 05:35:07,307 -
18
+ 2026-06-24 05:35:07,307 - ### System information ###
19
+ 2026-06-24 05:35:07,307 - Platform: Linux-4.18.0-553.69.1.el8_10.x86_64-x86_64-with-glibc2.28
20
+ 2026-06-24 05:35:07,307 - Operating System: Linux 4.18.0-553.69.1.el8_10.x86_64
21
+ 2026-06-24 05:35:07,307 - OS Version: #1 SMP Thu Aug 7 18:10:00 EDT 2025
22
+ 2026-06-24 05:35:07,307 - Machine: x86_64
23
+ 2026-06-24 05:35:07,307 - Processor: x86_64
24
+ 2026-06-24 05:35:07,307 - Available CPU cores: 8
25
+ 2026-06-24 05:35:07,307 - SLURM-Allocated Total Memory: 78.12 GB
26
+ 2026-06-24 05:35:07,307 -
27
+ 2026-06-24 05:35:07,307 - ### GPU information ###
28
+ 2026-06-24 05:35:07,307 - CUDA Available: True
29
+ 2026-06-24 05:35:07,307 - CUDA Version: 13.0
30
+ 2026-06-24 05:35:07,308 - Available CUDA GPUs: ['NVIDIA A100 80GB PCIe']
31
+ 2026-06-24 05:35:07,308 - CUDA Compute Capability: ['8.0']
32
+ 2026-06-24 05:35:07,308 - INFO: For torch.compile with Triton, you'll need CUDA GPU with Compute Capability >= 7.0.
33
+ 2026-06-24 05:35:07,308 - In addition, Triton does not directly support Windows.
34
+ 2026-06-24 05:35:07,308 - For Windows users, please follow the instruction and download `triton-windows` from https://github.com/woct0rdho/triton-windows.
35
+ 2026-06-24 05:35:07,337 - MIG (Multi-Instance GPU) mode = False
36
+ 2026-06-24 05:35:07,337 - INFO: MIG splits a physical GPU into multiple GPU slices, but multiGPU does not support these MIG slices.
37
+ 2026-06-24 05:35:07,337 - In addition, multiGPU is currently only available on Linux due to the limited NCCL support.
38
+ 2026-06-24 05:35:07,337 - -> If you're doing normal reconstruction/hypertune, you can safely ignore this.
39
+ 2026-06-24 05:35:07,337 - -> If you want to do multiGPU, you must provide multiple 'full' GPUs that are not in MIG mode.
40
+ 2026-06-24 05:35:07,337 -
41
+ 2026-06-24 05:35:07,337 - ### Python information ###
42
+ 2026-06-24 05:35:07,338 - Python Executable: /home/tnguye11/anaconda3/envs/ptyrad/bin/python3.12
43
+ 2026-06-24 05:35:07,338 - Python Version: 3.12.13 | packaged by Anaconda, Inc. | (main, Mar 19 2026, 20:20:58) [GCC 14.3.0]
44
+ 2026-06-24 05:35:07,338 -
45
+ 2026-06-24 05:35:07,338 - ### Packages information ###
46
+ 2026-06-24 05:35:07,338 - Numpy Version (metadata): 2.4.6
47
+ 2026-06-24 05:35:07,339 - PyTorch Version (metadata): 2.12.0
48
+ 2026-06-24 05:35:07,340 - Optuna Version (metadata): 4.9.0
49
+ 2026-06-24 05:35:07,340 - Accelerate Version (metadata): 1.13.0
50
+ 2026-06-24 05:35:07,341 - PtyRAD Version (ptyrad/__init__.py): 1.0.0
51
+ 2026-06-24 05:35:07,341 - PtyRAD is located at: /home/tnguye11/anaconda3/envs/ptyrad/lib/python3.12/site-packages/ptyrad/__init__.py
52
+ 2026-06-24 05:35:07,341 -
53
+ 2026-06-24 05:35:07,341 - ### Loading params file ###
54
+ 2026-06-24 05:35:07,341 - params_path = /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/params/c30_small/simulation_data1__sample_000004.yaml
55
+ 2026-06-24 05:35:07,348 - validate = True: Filling defaults and validating the params file...
56
+ 2026-06-24 05:35:07,349 - Success! Params file validated and defaults applied.
57
+ 2026-06-24 05:35:07,349 -
58
+ 2026-06-24 05:35:07,349 - ### Setting GPU Device ###
59
+ 2026-06-24 05:35:07,349 - Selected GPU device: cuda:0 (NVIDIA A100 80GB PCIe)
60
+ 2026-06-24 05:35:07,349 -
61
+ 2026-06-24 05:35:07,349 - Random seed: 20261848 provided by params file
62
+ 2026-06-24 05:35:07,349 - ### Initializing Initializer ###
63
+ 2026-06-24 05:35:07,349 - init_params are displayed below:
64
+ 2026-06-24 05:35:07,350 - random_seed: 20261848
65
+ 2026-06-24 05:35:07,350 - probe_illum_type: electron
66
+ 2026-06-24 05:35:07,350 - probe_kv: 120.0
67
+ 2026-06-24 05:35:07,350 - probe_conv_angle: 15.071081161499023
68
+ 2026-06-24 05:35:07,350 - probe_aberrations: {'C10': -308.916, 'C12': 0.25, 'phi12': 217.782, 'C21': 883.007, 'phi21': 66.513, 'C23': 292.989, 'phi23': 120.944, 'C30': 3418372.25, 'C32': 775.45, 'phi32': 235.401, 'C34': 11457.985, 'phi34': 78.242, 'C41': 57754.867, 'phi41': 123.47, 'C43': -1213.19, 'phi43': 218.041, 'C45': -325368.656, 'phi45': 168.413, 'C50': 491943200.0, 'C52': 12746455.0, 'phi52': 352.811, 'C54': -13085720.0, 'phi54': 109.581, 'C56': 19757192.0, 'phi56': 45.596}
69
+ 2026-06-24 05:35:07,350 - beam_kev: None
70
+ 2026-06-24 05:35:07,350 - probe_dRn: None
71
+ 2026-06-24 05:35:07,350 - probe_Rn: None
72
+ 2026-06-24 05:35:07,350 - probe_D_H: None
73
+ 2026-06-24 05:35:07,350 - probe_D_FZP: None
74
+ 2026-06-24 05:35:07,350 - probe_Ls: None
75
+ 2026-06-24 05:35:07,350 - meas_Npix: 128
76
+ 2026-06-24 05:35:07,350 - pos_N_scans: 256
77
+ 2026-06-24 05:35:07,350 - pos_N_scan_slow: 16
78
+ 2026-06-24 05:35:07,350 - pos_N_scan_fast: 16
79
+ 2026-06-24 05:35:07,350 - pos_scan_step_size: 0.3673764169216156
80
+ 2026-06-24 05:35:07,350 - meas_calibration: {'mode': 'kMax', 'value': 2.5}
81
+ 2026-06-24 05:35:07,350 - probe_pmode_max: 6
82
+ 2026-06-24 05:35:07,350 - probe_pmode_init_pows: [0.02]
83
+ 2026-06-24 05:35:07,350 - obj_omode_max: 1
84
+ 2026-06-24 05:35:07,350 - obj_omode_init_occu: {'occu_type': 'uniform', 'init_occu': None}
85
+ 2026-06-24 05:35:07,350 - obj_Nlayer: 1
86
+ 2026-06-24 05:35:07,350 - obj_slice_thickness: 20.0
87
+ 2026-06-24 05:35:07,350 - simu_Npix: None
88
+ 2026-06-24 05:35:07,350 - simu_match_mode: None
89
+ 2026-06-24 05:35:07,350 - meas_permute: None
90
+ 2026-06-24 05:35:07,350 - meas_reshape: [256, 128, 128]
91
+ 2026-06-24 05:35:07,350 - meas_flipT: [0, 0, 0]
92
+ 2026-06-24 05:35:07,350 - meas_crop: None
93
+ 2026-06-24 05:35:07,350 - meas_pad: None
94
+ 2026-06-24 05:35:07,350 - meas_resample: None
95
+ 2026-06-24 05:35:07,350 - meas_add_source_size: None
96
+ 2026-06-24 05:35:07,350 - meas_add_detector_blur: None
97
+ 2026-06-24 05:35:07,350 - meas_remove_neg_values: {'mode': 'clip_neg', 'value': None, 'force': False}
98
+ 2026-06-24 05:35:07,350 - meas_normalization: {'mode': 'max_at_one', 'value': None}
99
+ 2026-06-24 05:35:07,350 - meas_add_poisson_noise: None
100
+ 2026-06-24 05:35:07,350 - meas_export: None
101
+ 2026-06-24 05:35:07,350 - probe_permute: None
102
+ 2026-06-24 05:35:07,350 - probe_z_shift: None
103
+ 2026-06-24 05:35:07,350 - probe_normalization: {'mode': 'mean_total_ints', 'value': None}
104
+ 2026-06-24 05:35:07,351 - pos_scan_flipT: None
105
+ 2026-06-24 05:35:07,351 - pos_scan_affine: None
106
+ 2026-06-24 05:35:07,351 - pos_scan_rand_std: 0.15
107
+ 2026-06-24 05:35:07,351 - obj_z_crop: None
108
+ 2026-06-24 05:35:07,351 - obj_z_pad: None
109
+ 2026-06-24 05:35:07,351 - obj_z_resample: None
110
+ 2026-06-24 05:35:07,351 - meas_source: file
111
+ 2026-06-24 05:35:07,351 - meas_params: {'path': '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000004_measurement.h5', 'key': 'measurement', 'shape': None, 'offset': None, 'gap': None, 'selection': None, 'zarr_kwargs': None}
112
+ 2026-06-24 05:35:07,351 - probe_source: simu
113
+ 2026-06-24 05:35:07,351 - probe_params: None
114
+ 2026-06-24 05:35:07,351 - pos_source: simu
115
+ 2026-06-24 05:35:07,351 - pos_params: None
116
+ 2026-06-24 05:35:07,351 - obj_source: simu
117
+ 2026-06-24 05:35:07,351 - obj_params: None
118
+ 2026-06-24 05:35:07,351 - tilt_source: simu
119
+ 2026-06-24 05:35:07,351 - tilt_params: {'tilt_type': 'all', 'init_tilts': [[0, 0]]}
120
+ 2026-06-24 05:35:07,351 -
121
+ 2026-06-24 05:35:07,351 - ### Initializing cache ###
122
+ 2026-06-24 05:35:07,351 - use_cached_obj = False
123
+ 2026-06-24 05:35:07,351 - use_cached_probe = False
124
+ 2026-06-24 05:35:07,351 - use_cached_pos = False
125
+ 2026-06-24 05:35:07,351 -
126
+ 2026-06-24 05:35:07,351 - ### Initializing measurements ###
127
+ 2026-06-24 05:35:07,351 - Loading measurements from source = 'file'
128
+ 2026-06-24 05:35:07,351 - Detected measurement file type = '.h5'
129
+ 2026-06-24 05:35:07,430 - Original measurements dtype is float32, casting to float32 (single precision) for computational efficiency.
130
+ 2026-06-24 05:35:07,430 - Imported meausrements shape / dtype = (16, 16, 128, 128), dtype = float32
131
+ 2026-06-24 05:35:07,432 - Imported meausrements int. statistics (min, mean, max) = (0.0000, 0.0001, 0.0036)
132
+ 2026-06-24 05:35:07,432 - Reshaping measurements to shape = [256, 128, 128]
133
+ 2026-06-24 05:35:07,432 - Flipping measurements with [flipud, fliplr, transpose] = [0, 0, 0]
134
+ 2026-06-24 05:35:07,434 - No negative values found in measurements. Skipping non-neg correction.
135
+ 2026-06-24 05:35:07,434 - Normalizing measurements with mode = 'max_at_one' and value = 'None'
136
+ 2026-06-24 05:35:07,435 - Normalizing by max of the 2D mean pattern intensity: 0.0021835053
137
+ 2026-06-24 05:35:07,435 - meausrements shape / dtype = (256, 128, 128), dtype = float32
138
+ 2026-06-24 05:35:07,436 - meausrements int. statistics (min, mean, max) = (0.0000, 0.0277, 1.6535)
139
+ 2026-06-24 05:35:07,437 - No negative values found in measurements. Skipping non-neg correction.
140
+ 2026-06-24 05:35:07,438 - Pattern total int. statistics (min, mean, max) = (447.2535, 453.0605, 457.8853), with min/max = 97.7%
141
+ 2026-06-24 05:35:07,440 - Global meausrements int. statistics (min, mean, max) = (0.0000, 0.0277, 1.6535)
142
+ 2026-06-24 05:35:07,440 - measurements (N, Ky, Kx) = float32, (256, 128, 128)
143
+ 2026-06-24 05:35:07,440 -
144
+ 2026-06-24 05:35:07,440 - ### Setting up calibration ###
145
+ 2026-06-24 05:35:07,440 - meas_calibration mode = 'kMax', value = 2.5
146
+ 2026-06-24 05:35:07,440 - Using loaded raw averaged measurement (before crop/pad/resample) to fit RBF as a part of the meas calibration
147
+ 2026-06-24 05:35:07,440 - Radius of fitted bright field disk (RBF) = 11.37 px with meas_Npix = 128
148
+ 2026-06-24 05:35:07,440 - Suggested probe_mask_k radius (RBF*2/Npix) > 0.1776
149
+ 2026-06-24 05:35:07,440 - Fitting raw averaged measurement with center, radius, and Gaussian blur std as a sanity check
150
+ 2026-06-24 05:35:07,440 - Note that the fitted Gaussian blur std (detector blur) would be affected by overlapping Bragg disks
151
+ 2026-06-24 05:35:07,663 - Initial guess: center=(63.77, 63.61), radius=11.37, Gaussian blur std=0.50
152
+ 2026-06-24 05:35:07,677 - Final fit: center=(63.77, 63.61), radius=11.37, Gaussian blur std=0.68
153
+ 2026-06-24 05:35:07,677 - Using init_params, the inferred RBF (conv_angle / 1e3 * Npix * dx / wavelength) = 11.52 px with Npix = 128
154
+ 2026-06-24 05:35:07,677 - dx (real space pixel size of probe and object) set to 0.2000 Ang with Npix = 128
155
+ 2026-06-24 05:35:07,678 -
156
+ 2026-06-24 05:35:07,678 - ### Setting init_variables dict ###
157
+ 2026-06-24 05:35:07,678 - Derived values given input init_params:
158
+ 2026-06-24 05:35:07,678 - kv = 120.0 kV
159
+ 2026-06-24 05:35:07,678 - wavelength = 0.0335 Ang
160
+ 2026-06-24 05:35:07,678 - conv_angle = 15.071081161499023 mrad
161
+ 2026-06-24 05:35:07,678 - Npix = 128 px
162
+ 2026-06-24 05:35:07,678 - dk = 0.0391 Ang^-1
163
+ 2026-06-24 05:35:07,678 - kMax = 2.5000 Ang^-1
164
+ 2026-06-24 05:35:07,678 - da = 1.3083 mrad
165
+ 2026-06-24 05:35:07,678 - angleMax = 83.7304 mrad
166
+ 2026-06-24 05:35:07,678 - RBF = 11.5197 px (Inferred from the given calibration, NOT necessarily from the loaded measurement data)
167
+ 2026-06-24 05:35:07,678 - n_alpha = 5.5557 (# conv_angle)
168
+ 2026-06-24 05:35:07,678 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
169
+ 2026-06-24 05:35:07,678 - Rayleigh-limited resolution = 1.3556 Ang (0.61*lambda/alpha for focused probe )
170
+ 2026-06-24 05:35:07,678 - Real space probe extent = 25.6000 Ang
171
+ 2026-06-24 05:35:07,678 -
172
+ 2026-06-24 05:35:07,678 - ### Initializing probe ###
173
+ 2026-06-24 05:35:07,678 - Loading probe from source = 'simu'
174
+ 2026-06-24 05:35:07,678 - Using experimental parameters specified by 'init_params' for initial probe simulation.
175
+ 2026-06-24 05:35:07,678 - Start simulating STEM probe
176
+ 2026-06-24 05:35:07,678 - kv = 120.0 kV
177
+ 2026-06-24 05:35:07,678 - wavelength = 0.0335 Ang
178
+ 2026-06-24 05:35:07,678 - conv_angle = 15.071081161499023 mrad
179
+ 2026-06-24 05:35:07,678 - Npix = 128 px
180
+ 2026-06-24 05:35:07,679 - dk = 0.0391 Ang^-1
181
+ 2026-06-24 05:35:07,679 - kMax = 2.5000 Ang^-1
182
+ 2026-06-24 05:35:07,679 - alpha_max = 83.7304 mrad
183
+ 2026-06-24 05:35:07,679 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
184
+ 2026-06-24 05:35:07,679 - Rayleigh-limited resolution = 1.3556 Ang (0.61*lambda/alpha for focused probe )
185
+ 2026-06-24 05:35:07,679 - Real space probe extent = 25.6000 Ang
186
+ 2026-06-24 05:35:07,679 - Krivanek Haider Magnitude Angle (°) Description
187
+ 2026-06-24 05:35:07,679 - ------------------------------------------------------------------------------------
188
+ 2026-06-24 05:35:07,679 - C1,0 C1 -308.9160 - Defocus (C10 = -df)
189
+ 2026-06-24 05:35:07,679 - C1,2 A1 0.2500 217.78 2-fold astigmatism
190
+ 2026-06-24 05:35:07,679 - C2,1 3*B2 883.0070 66.51 Axial coma
191
+ 2026-06-24 05:35:07,679 - C2,3 A2 292.9890 120.94 3-fold astigmatism
192
+ 2026-06-24 05:35:07,679 - C3,0 C3 3418372.2500 - Spherical aberration
193
+ 2026-06-24 05:35:07,679 - C3,2 4*S3 775.4500 235.40 Axial star aberration
194
+ 2026-06-24 05:35:07,679 - C3,4 A3 11457.9850 78.24 4-fold astigmatism
195
+ 2026-06-24 05:35:07,679 - C4,1 4*B4 57754.8670 123.47 Axial coma(4th)
196
+ 2026-06-24 05:35:07,679 - C4,3 4*D4 -1213.1900 218.04 3-lobe aberration
197
+ 2026-06-24 05:35:07,679 - C4,5 A4 -325368.6560 168.41 5-fold astigmatism
198
+ 2026-06-24 05:35:07,679 - C5,0 C5 491943200.0000 - Spherical aberration (5th)
199
+ 2026-06-24 05:35:07,679 - C5,2 6*S5 12746455.0000 352.81 Axial star aberration(5th)
200
+ 2026-06-24 05:35:07,679 - C5,4 6*R5 -13085720.0000 109.58 4-lobe aberration
201
+ 2026-06-24 05:35:07,679 - C5,6 A5 19757192.0000 45.60 6-fold astigmatism
202
+ 2026-06-24 05:35:07,682 - Loaded probe shape = (1, 128, 128), dtype = complex128
203
+ 2026-06-24 05:35:07,682 - pmode_now: 1 and pmode_max: 6, padding the pmode.
204
+ 2026-06-24 05:35:07,682 - Creating 5 new probe modes from the major mode
205
+ 2026-06-24 05:35:07,682 - Start making mixed-state STEM probe with 6 incoherent probe modes
206
+ 2026-06-24 05:35:07,852 - Relative power of probe modes = [0.9 0.02 0.02 0.02 0.02 0.02]
207
+ 2026-06-24 05:35:07,853 - Orthogonalizing 6 pmodes
208
+ 2026-06-24 05:35:07,855 - Sorting 6 pmodes by their intensities
209
+ 2026-06-24 05:35:07,855 - Normalizing probe intensity with mode = 'mean_total_ints' and value = 'None'
210
+ 2026-06-24 05:35:07,856 - sum(|probe_data|**2) = 453.06, while meas_total_ints (min, mean, max) = (447.2535, 453.0605, 457.8853)
211
+ 2026-06-24 05:35:07,856 - probe (pmode, Ny, Nx) = complex64, (6, 128, 128)
212
+ 2026-06-24 05:35:07,856 -
213
+ 2026-06-24 05:35:07,856 - ### Initializing probe positions ###
214
+ 2026-06-24 05:35:07,856 - Loading probe positions from source = 'simu'
215
+ 2026-06-24 05:35:07,856 - Using experimental parameters specified by 'init_params' (dx, scan_step size, N_scan_slow, N_scan_fast) for initial position simulation.
216
+ 2026-06-24 05:35:07,856 - Simulating probe positions with dx = 0.2000, scan_step_size = 0.3674, N_scan_fast = 16, N_scan_slow = 16
217
+ 2026-06-24 05:35:07,856 - Applying Gaussian distributed random displacement with std = 0.15 px to scan positions
218
+ 2026-06-24 05:35:07,859 - crop_pos (N,2) = int16, (256, 2)
219
+ 2026-06-24 05:35:07,859 - crop_pos 1st and last px coords (y,x) = ([15, 15], [43, 43])
220
+ 2026-06-24 05:35:07,859 - crop_pos extent (Ang) = [5.6 5.6]
221
+ 2026-06-24 05:35:07,859 - probe_pos_shifts (N,2) = float32, (256, 2)
222
+ 2026-06-24 05:35:07,859 -
223
+ 2026-06-24 05:35:07,859 - ### Initializing object ###
224
+ 2026-06-24 05:35:07,859 - Loading object from source = 'simu'
225
+ 2026-06-24 05:35:07,859 - Using experimental parameters specified by 'init_params' for initial object simulation.
226
+ 2026-06-24 05:35:07,860 - omode_now: 1 and omode_max: 1, leaving the omode unchanged.
227
+ 2026-06-24 05:35:07,861 - object (omode, Nz, Ny, Nx) = complex64, (1, 1, 188, 188)
228
+ 2026-06-24 05:35:07,861 - object extent (Z, Y, X) (Ang) = [20. 37.6 37.6]
229
+ 2026-06-24 05:35:07,861 -
230
+ 2026-06-24 05:35:07,861 - ### Initializing omode_occu from 'uniform' ###
231
+ 2026-06-24 05:35:07,861 - omode_occu (omode) = float32, (1,)
232
+ 2026-06-24 05:35:07,861 -
233
+ 2026-06-24 05:35:07,861 - ### Initializing H (Fresnel propagator) ###
234
+ 2026-06-24 05:35:07,861 - Calculating H with probe_shape = (128, 128) px, dx = 0.2000 Ang, slice_thickness = 20.0000 Ang, lambd = 0.0335 Ang
235
+ 2026-06-24 05:35:07,862 - H (Ky, Kx) = complex64, (128, 128)
236
+ 2026-06-24 05:35:07,862 -
237
+ 2026-06-24 05:35:07,862 - ### Initializing obj tilts from = 'simu' ###
238
+ 2026-06-24 05:35:07,862 - Initialized obj_tilts with init_tilts = [[0, 0]] (theta_y, theta_x) mrad
239
+ 2026-06-24 05:35:07,862 - obj_tilts (N, 2) = float32, (1, 2)
240
+ 2026-06-24 05:35:07,862 -
241
+ 2026-06-24 05:35:07,862 - ### Checking consistency between input params with the initialized variables ###
242
+ 2026-06-24 05:35:07,862 - meas_Npix, simu_Npix, DP measurements, probe, and H shapes are consistent as '128'
243
+ 2026-06-24 05:35:07,862 - N_scans, len(meas), N_scan_slow*N_scan_fast, len(crop_pos), and len(probe_pos_shifts) are consistent as '256'
244
+ 2026-06-24 05:35:07,862 - obj.shape[0] is consistent with len(omode_occu) as '1'
245
+ 2026-06-24 05:35:07,862 - obj.shape[1] is consistent with Nlayer as '1'
246
+ 2026-06-24 05:35:07,862 - crop positions (yx_min=[15 15], yx_max=[171 171]) are well contained inside object canvas (Ny,Nx) = (188, 188).
247
+ 2026-06-24 05:35:07,862 - obj_tilts is consistent with either 1 or N_scans
248
+ 2026-06-24 05:35:07,862 - Pass the consistency check of initialized variables, initialization is done!
249
+ 2026-06-24 05:35:07,862 -
250
+ 2026-06-24 05:35:07,862 - ### Collecting reconstruction provenance ###
251
+ 2026-06-24 05:35:07,862 - Reconstruction provenance is collected and initialized.
252
+ 2026-06-24 05:35:07,862 -
253
+ 2026-06-24 05:35:07,862 - ### Initializing loss function ###
254
+ 2026-06-24 05:35:07,862 - Active loss types:
255
+ 2026-06-24 05:35:07,863 - loss_single : {'state': True, 'weight': 1.0, 'dp_pow': 0.5}
256
+ 2026-06-24 05:35:07,863 -
257
+ 2026-06-24 05:35:07,863 - ### Initializing constraint function ###
258
+ 2026-06-24 05:35:07,863 - Active constraint types:
259
+ 2026-06-24 05:35:07,863 - ortho_pmode : {'start_iter': 1, 'step': 1, 'end_iter': None}
260
+ 2026-06-24 05:35:07,863 - fix_probe_int : {'start_iter': 1, 'step': 1, 'end_iter': None}
261
+ 2026-06-24 05:35:07,863 - obj_zblur : {'start_iter': 1, 'step': 1, 'end_iter': None, 'obj_type': 'both', 'kernel_size': 5, 'std': 1.0}
262
+ 2026-06-24 05:35:07,863 - obja_thresh : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0, 'thresh': [0.96, 1.04]}
263
+ 2026-06-24 05:35:07,863 - pos_recenter : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0}
264
+ 2026-06-24 05:35:07,863 -
265
+ 2026-06-24 05:35:07,863 - ### Done initializing PtyRADSolver ###
266
+ 2026-06-24 05:35:07,863 -
267
+ 2026-06-24 05:35:07,987 - ### Starting the PtyRADSolver in reconstruct mode ###
268
+ 2026-06-24 05:35:07,987 -
269
+ 2026-06-24 05:35:07,987 - ### Initializing PtychoModel model ###
270
+ 2026-06-24 05:35:08,059 - ### PtychoModel optimizable variables ###
271
+ 2026-06-24 05:35:08,059 - obja : torch.Size([1, 1, 188, 188]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
272
+ 2026-06-24 05:35:08,059 - objp : torch.Size([1, 1, 188, 188]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
273
+ 2026-06-24 05:35:08,059 - obj_tilts : torch.Size([1, 2]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
274
+ 2026-06-24 05:35:08,059 - slice_thickness : torch.Size([]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
275
+ 2026-06-24 05:35:08,059 - probe : torch.Size([6, 128, 128, 2]) , torch.float32 , device:cuda:0, grad:True , lr:1e-04
276
+ 2026-06-24 05:35:08,059 - probe_pos_shifts: torch.Size([256, 2]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
277
+ 2026-06-24 05:35:08,060 -
278
+ 2026-06-24 05:35:08,060 - ### Optimizable variables statitsics ###
279
+ 2026-06-24 05:35:08,060 - Total measurement values : 4,194,304
280
+ 2026-06-24 05:35:08,060 - Total optimizing variables: 267,808
281
+ 2026-06-24 05:35:08,060 - Overdetermined ratio : 15.66
282
+ 2026-06-24 05:35:08,060 -
283
+ 2026-06-24 05:35:08,060 - ### Model behavior ###
284
+ 2026-06-24 05:35:08,060 - Tilt propagator : False
285
+ 2026-06-24 05:35:08,060 - Change slice thickness : False
286
+ 2026-06-24 05:35:08,060 - Detector blur : False
287
+ 2026-06-24 05:35:08,060 - Preload data : True
288
+ 2026-06-24 05:35:08,060 - On-the-fly meas padding : False
289
+ 2026-06-24 05:35:08,060 - On-the-fly meas resample : False
290
+ 2026-06-24 05:35:08,060 - On-the-fly simu match mode: None
291
+ 2026-06-24 05:35:08,060 -
292
+ 2026-06-24 05:35:08,101 - ### Done initializing PtychoModel model ###
293
+ 2026-06-24 05:35:08,102 -
294
+ 2026-06-24 05:35:08,102 - ### Creating PyTorch 'Adam' optimizer with configs = {} ###
295
+ 2026-06-24 05:35:08,102 -
296
+ 2026-06-24 05:35:08,102 - ### Generating indices, batches, and output_path ###
297
+ 2026-06-24 05:35:08,103 - d90 = 57.000 px or 11.400 Ang
298
+ 2026-06-24 05:35:08,103 - Selecting indices with the 'full' mode
299
+ 2026-06-24 05:35:08,558 - Generated 8 'random' groups of ~32 scan positions in 0.000 sec
300
+ 2026-06-24 05:35:08,630 - The effective batch size (i.e., how many probe positions are simultaneously used for 1 update of ptychographic parameters) is batch_size * grad_accumulation = 32 * 1 = 32
301
+ 2026-06-24 05:35:08,630 - Original recon_dir_affixes = ['default']
302
+ 2026-06-24 05:35:08,630 - Expanded recon_dir_affixes = ['indices', 'meas', 'batch', 'pmode', 'omode', 'nlayer', 'lr', 'model', 'constraint', 'loss', 'affine', 'tilt', 'aberrations']
303
+ 2026-06-24 05:35:08,636 - Path corrected for compatibility:
304
+ 2026-06-24 05:35:08,636 - Original: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_1.15e+04_phi34_78.2_C41_5.78e+04_phi41_123_C43_-1.21e+03_phi43_218_C45_-3.25e+05_phi45_168_C50_4.92e+08_C52_1.27e+07_phi52_353_C54_-1.31e+07_phi54_110_C56_1.98e+07_phi56_45.6
305
+ 2026-06-24 05:35:08,636 - Corrected: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6
306
+ 2026-06-24 05:35:08,637 - output_path = '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6' is generated!
307
+ 2026-06-24 05:35:08,789 -
308
+ 2026-06-24 05:35:08,790 - ### Log file is flushed (created) as /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004/c30_small__simulation_data1__sample_000004_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-309_C12_0.25_phi12_218_C21_883_phi21_66.5_C23_293_phi23_121_C30_3.42e+06_C32_775_phi32_235_C34_.6/20260624_053508_ptyrad_log.txt ###
309
+ 2026-06-24 05:35:08,790 -
310
+ 2026-06-24 05:35:08,792 - ### Creating ConvergenceMonitor with {'tensors': ['obja', 'objp', 'probe', 'probe_pos_shifts'], 'every_n_iters': None, 'percentile_range': [15.0, 85.0]} ###
311
+ 2026-06-24 05:35:08,792 - ### Start the PtyRAD iterative ptycho reconstruction ###
312
+ 2026-06-24 05:35:08,792 - Setting up PyTorch compiler with {'fullgraph': False, 'dynamic': None, 'backend': 'inductor', 'mode': 'default', 'options': None, 'disable': True}
313
+ 2026-06-24 05:35:09,986 - Iter: 1, Total Loss: 1.0463, loss_single: 1.0463, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.441 sec
314
+ 2026-06-24 05:35:10,023 - Iter: 2, Total Loss: 1.0182, loss_single: 1.0182, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
315
+ 2026-06-24 05:35:10,059 - Iter: 3, Total Loss: 0.9947, loss_single: 0.9947, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
316
+ 2026-06-24 05:35:10,095 - Iter: 4, Total Loss: 0.9718, loss_single: 0.9718, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
317
+ 2026-06-24 05:35:10,130 - Iter: 5, Total Loss: 0.9497, loss_single: 0.9497, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
318
+ 2026-06-24 05:35:10,165 - Iter: 6, Total Loss: 0.9293, loss_single: 0.9293, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
319
+ 2026-06-24 05:35:10,201 - Iter: 7, Total Loss: 0.9071, loss_single: 0.9071, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
320
+ 2026-06-24 05:35:10,237 - Iter: 8, Total Loss: 0.8827, loss_single: 0.8827, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
321
+ 2026-06-24 05:35:10,272 - Iter: 9, Total Loss: 0.8579, loss_single: 0.8579, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
322
+ 2026-06-24 05:35:10,308 - Iter: 10, Total Loss: 0.8315, loss_single: 0.8315, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
323
+ 2026-06-24 05:35:10,343 - Iter: 11, Total Loss: 0.8068, loss_single: 0.8068, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
324
+ 2026-06-24 05:35:10,379 - Iter: 12, Total Loss: 0.7830, loss_single: 0.7830, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
325
+ 2026-06-24 05:35:10,414 - Iter: 13, Total Loss: 0.7590, loss_single: 0.7590, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
326
+ 2026-06-24 05:35:10,450 - Iter: 14, Total Loss: 0.7358, loss_single: 0.7358, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
327
+ 2026-06-24 05:35:10,485 - Iter: 15, Total Loss: 0.7123, loss_single: 0.7123, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
328
+ 2026-06-24 05:35:10,521 - Iter: 16, Total Loss: 0.6890, loss_single: 0.6890, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
329
+ 2026-06-24 05:35:10,556 - Iter: 17, Total Loss: 0.6661, loss_single: 0.6661, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
330
+ 2026-06-24 05:35:10,592 - Iter: 18, Total Loss: 0.6433, loss_single: 0.6433, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
331
+ 2026-06-24 05:35:10,627 - Iter: 19, Total Loss: 0.6224, loss_single: 0.6224, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
332
+ 2026-06-24 05:35:10,662 - Iter: 20, Total Loss: 0.6038, loss_single: 0.6038, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
333
+ 2026-06-24 05:35:10,715 - Iter: 21, Total Loss: 0.5867, loss_single: 0.5867, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
334
+ 2026-06-24 05:35:10,750 - Iter: 22, Total Loss: 0.5696, loss_single: 0.5696, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
335
+ 2026-06-24 05:35:10,786 - Iter: 23, Total Loss: 0.5533, loss_single: 0.5533, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
336
+ 2026-06-24 05:35:10,821 - Iter: 24, Total Loss: 0.5378, loss_single: 0.5378, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
337
+ 2026-06-24 05:35:10,857 - Iter: 25, Total Loss: 0.5234, loss_single: 0.5234, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
338
+ 2026-06-24 05:35:10,892 - Iter: 26, Total Loss: 0.5097, loss_single: 0.5097, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
339
+ 2026-06-24 05:35:10,928 - Iter: 27, Total Loss: 0.4958, loss_single: 0.4958, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
340
+ 2026-06-24 05:35:10,963 - Iter: 28, Total Loss: 0.4832, loss_single: 0.4832, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
341
+ 2026-06-24 05:35:10,999 - Iter: 29, Total Loss: 0.4717, loss_single: 0.4717, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,497 - Iter: 43, Total Loss: 0.3984, loss_single: 0.3984, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,532 - Iter: 44, Total Loss: 0.3968, loss_single: 0.3968, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,568 - Iter: 45, Total Loss: 0.3954, loss_single: 0.3954, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,603 - Iter: 46, Total Loss: 0.3942, loss_single: 0.3942, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,638 - Iter: 47, Total Loss: 0.3932, loss_single: 0.3932, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,708 - Iter: 49, Total Loss: 0.3919, loss_single: 0.3919, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,849 - Iter: 53, Total Loss: 0.3894, loss_single: 0.3894, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,884 - Iter: 54, Total Loss: 0.3889, loss_single: 0.3889, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,920 - Iter: 55, Total Loss: 0.3884, loss_single: 0.3884, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,955 - Iter: 56, Total Loss: 0.3880, loss_single: 0.3880, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:11,990 - Iter: 57, Total Loss: 0.3875, loss_single: 0.3875, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,025 - Iter: 58, Total Loss: 0.3871, loss_single: 0.3871, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,060 - Iter: 59, Total Loss: 0.3867, loss_single: 0.3867, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,096 - Iter: 60, Total Loss: 0.3863, loss_single: 0.3863, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,132 - Iter: 61, Total Loss: 0.3859, loss_single: 0.3859, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,202 - Iter: 63, Total Loss: 0.3852, loss_single: 0.3852, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,238 - Iter: 64, Total Loss: 0.3848, loss_single: 0.3848, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,273 - Iter: 65, Total Loss: 0.3845, loss_single: 0.3845, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,308 - Iter: 66, Total Loss: 0.3842, loss_single: 0.3842, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,344 - Iter: 67, Total Loss: 0.3838, loss_single: 0.3838, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:12,979 - Iter: 85, Total Loss: 0.3782, loss_single: 0.3782, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,155 - Iter: 90, Total Loss: 0.3767, loss_single: 0.3767, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,193 - Iter: 91, Total Loss: 0.3765, loss_single: 0.3765, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
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+ 2026-06-24 05:35:13,264 - Iter: 93, Total Loss: 0.3759, loss_single: 0.3759, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,299 - Iter: 94, Total Loss: 0.3756, loss_single: 0.3756, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,335 - Iter: 95, Total Loss: 0.3753, loss_single: 0.3753, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,370 - Iter: 96, Total Loss: 0.3751, loss_single: 0.3751, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,406 - Iter: 97, Total Loss: 0.3748, loss_single: 0.3748, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,441 - Iter: 98, Total Loss: 0.3745, loss_single: 0.3745, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,476 - Iter: 99, Total Loss: 0.3742, loss_single: 0.3742, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,512 - Iter: 100, Total Loss: 0.3739, loss_single: 0.3739, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:13,623 - Saving summary figures for iter 100
414
+ 2026-06-24 05:35:17,253 - ### Finished 100 iterations, averaged iter_t = 0.039048 with std = 0.040 ###
415
+ 2026-06-24 05:35:17,254 -
416
+ 2026-06-24 05:35:17,254 - ### The PtyRADSolver is finished in 9.267 sec ###
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+ 2026-06-24 05:35:17,254 -
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+ eps: 1.0e-06
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+ loss_sparse:
88
+ state: false
89
+ weight: 0.1
90
+ ln_order: 1
91
+ constraint_params:
92
+ ortho_pmode:
93
+ start_iter: 1
94
+ step: 1
95
+ end_iter: null
96
+ fix_probe_int:
97
+ start_iter: 1
98
+ step: 1
99
+ end_iter: null
100
+ obj_rblur:
101
+ start_iter: null
102
+ step: 1
103
+ end_iter: null
104
+ obj_type: both
105
+ kernel_size: 5
106
+ std: 0.4
107
+ obj_zblur:
108
+ start_iter: 1
109
+ step: 1
110
+ end_iter: null
111
+ obj_type: both
112
+ kernel_size: 5
113
+ std: 1
114
+ obja_thresh:
115
+ start_iter: 1
116
+ step: 1
117
+ end_iter: null
118
+ relax: 0
119
+ thresh:
120
+ - 0.96
121
+ - 1.04
122
+ objp_postiv:
123
+ start_iter: null
124
+ step: 1
125
+ end_iter: null
126
+ relax: 0
127
+ recon_params:
128
+ NITER: 100
129
+ BATCH_SIZE:
130
+ size: 32
131
+ grad_accumulation: 1
132
+ SAVE_ITERS: 100
133
+ output_dir: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000004
134
+ recon_dir_affixes:
135
+ - default
136
+ prefix: c30_small__simulation_data1__sample_000004
137
+ postfix: ''
138
+ compiler_configs:
139
+ enable: false
140
+ prefix_time: false
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ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06/20260624_053538_ptyrad_log.txt ADDED
@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2026-06-24 05:35:36,649 - ### PtyRAD LoggingManager configuration ###
2
+ 2026-06-24 05:35:36,649 - log_file = 'ptyrad_log.txt'. If log_file = None, no log file will be created.
3
+ 2026-06-24 05:35:36,649 - log_dir = 'auto'. If log_dir = 'auto', then log will be saved to `output_path` or 'logs/'.
4
+ 2026-06-24 05:35:36,649 - flush_file = True. Automatically set to True if `log_file is not None`
5
+ 2026-06-24 05:35:36,649 - prefix_time = datetime. If true, preset strings ('date', 'time', 'datetime'), or a string of time format, a datetime str is prefixed to the `log_file`.
6
+ 2026-06-24 05:35:36,649 - prefix_jobid = '0'. If not 0, it'll be prefixed to the log file. This is used for hypertune mode with multiple GPUs.
7
+ 2026-06-24 05:35:36,649 - append_to_file = True. If true, logs will be appended to the existing file. If false, the log file will be overwritten.
8
+ 2026-06-24 05:35:36,649 - show_timestamp = True. If true, the printed information will contain a timestamp.
9
+ 2026-06-24 05:35:36,649 -
10
+ 2026-06-24 05:35:36,754 - ### Initializing HuggingFace accelerator ###
11
+ 2026-06-24 05:35:36,754 - Accelerator.distributed_type = DistributedType.NO
12
+ 2026-06-24 05:35:36,754 - Accelerator.num_process = 1
13
+ 2026-06-24 05:35:36,754 - Accelerator.mixed_precision = no
14
+ 2026-06-24 05:35:36,765 - 'accelerate' is available but NOT using distributed mode or mixed precision
15
+ 2026-06-24 05:35:36,765 - If you want to utilize 'accelerate' for multiGPU or mixed precision,
16
+ 2026-06-24 05:35:36,765 - Run `accelerate launch --multi_gpu --num_processes=2 --mixed_precision='no' -m ptyrad run <PTYRAD_ARGUMENTS> --gpuid 'acc'` in your terminal
17
+ 2026-06-24 05:35:36,765 -
18
+ 2026-06-24 05:35:36,765 - ### System information ###
19
+ 2026-06-24 05:35:36,765 - Platform: Linux-4.18.0-553.69.1.el8_10.x86_64-x86_64-with-glibc2.28
20
+ 2026-06-24 05:35:36,765 - Operating System: Linux 4.18.0-553.69.1.el8_10.x86_64
21
+ 2026-06-24 05:35:36,765 - OS Version: #1 SMP Thu Aug 7 18:10:00 EDT 2025
22
+ 2026-06-24 05:35:36,765 - Machine: x86_64
23
+ 2026-06-24 05:35:36,766 - Processor: x86_64
24
+ 2026-06-24 05:35:36,766 - Available CPU cores: 8
25
+ 2026-06-24 05:35:36,766 - SLURM-Allocated Total Memory: 78.12 GB
26
+ 2026-06-24 05:35:36,766 -
27
+ 2026-06-24 05:35:36,766 - ### GPU information ###
28
+ 2026-06-24 05:35:36,766 - CUDA Available: True
29
+ 2026-06-24 05:35:36,766 - CUDA Version: 13.0
30
+ 2026-06-24 05:35:36,766 - Available CUDA GPUs: ['NVIDIA A100 80GB PCIe']
31
+ 2026-06-24 05:35:36,766 - CUDA Compute Capability: ['8.0']
32
+ 2026-06-24 05:35:36,766 - INFO: For torch.compile with Triton, you'll need CUDA GPU with Compute Capability >= 7.0.
33
+ 2026-06-24 05:35:36,766 - In addition, Triton does not directly support Windows.
34
+ 2026-06-24 05:35:36,766 - For Windows users, please follow the instruction and download `triton-windows` from https://github.com/woct0rdho/triton-windows.
35
+ 2026-06-24 05:35:36,794 - MIG (Multi-Instance GPU) mode = False
36
+ 2026-06-24 05:35:36,794 - INFO: MIG splits a physical GPU into multiple GPU slices, but multiGPU does not support these MIG slices.
37
+ 2026-06-24 05:35:36,794 - In addition, multiGPU is currently only available on Linux due to the limited NCCL support.
38
+ 2026-06-24 05:35:36,794 - -> If you're doing normal reconstruction/hypertune, you can safely ignore this.
39
+ 2026-06-24 05:35:36,794 - -> If you want to do multiGPU, you must provide multiple 'full' GPUs that are not in MIG mode.
40
+ 2026-06-24 05:35:36,794 -
41
+ 2026-06-24 05:35:36,794 - ### Python information ###
42
+ 2026-06-24 05:35:36,796 - Python Executable: /home/tnguye11/anaconda3/envs/ptyrad/bin/python3.12
43
+ 2026-06-24 05:35:36,796 - Python Version: 3.12.13 | packaged by Anaconda, Inc. | (main, Mar 19 2026, 20:20:58) [GCC 14.3.0]
44
+ 2026-06-24 05:35:36,796 -
45
+ 2026-06-24 05:35:36,796 - ### Packages information ###
46
+ 2026-06-24 05:35:36,797 - Numpy Version (metadata): 2.4.6
47
+ 2026-06-24 05:35:36,797 - PyTorch Version (metadata): 2.12.0
48
+ 2026-06-24 05:35:36,798 - Optuna Version (metadata): 4.9.0
49
+ 2026-06-24 05:35:36,799 - Accelerate Version (metadata): 1.13.0
50
+ 2026-06-24 05:35:36,799 - PtyRAD Version (ptyrad/__init__.py): 1.0.0
51
+ 2026-06-24 05:35:36,799 - PtyRAD is located at: /home/tnguye11/anaconda3/envs/ptyrad/lib/python3.12/site-packages/ptyrad/__init__.py
52
+ 2026-06-24 05:35:36,799 -
53
+ 2026-06-24 05:35:36,799 - ### Loading params file ###
54
+ 2026-06-24 05:35:36,799 - params_path = /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/params/c30_small/simulation_data1__sample_000006.yaml
55
+ 2026-06-24 05:35:36,806 - validate = True: Filling defaults and validating the params file...
56
+ 2026-06-24 05:35:36,807 - Success! Params file validated and defaults applied.
57
+ 2026-06-24 05:35:36,807 -
58
+ 2026-06-24 05:35:36,807 - ### Setting GPU Device ###
59
+ 2026-06-24 05:35:36,807 - Selected GPU device: cuda:0 (NVIDIA A100 80GB PCIe)
60
+ 2026-06-24 05:35:36,807 -
61
+ 2026-06-24 05:35:36,807 - Random seed: 20261850 provided by params file
62
+ 2026-06-24 05:35:36,808 - ### Initializing Initializer ###
63
+ 2026-06-24 05:35:36,808 - init_params are displayed below:
64
+ 2026-06-24 05:35:36,808 - random_seed: 20261850
65
+ 2026-06-24 05:35:36,808 - probe_illum_type: electron
66
+ 2026-06-24 05:35:36,808 - probe_kv: 100.0
67
+ 2026-06-24 05:35:36,808 - probe_conv_angle: 12.753067016601562
68
+ 2026-06-24 05:35:36,808 - probe_aberrations: {'C10': 13.468, 'C12': -30.276, 'phi12': 57.833, 'C21': 906.579, 'phi21': 174.005, 'C23': -612.995, 'phi23': 112.89, 'C30': 2811631.5, 'C32': -2623.853, 'phi32': 300.321, 'C34': 676.396, 'phi34': 209.604, 'C41': -310396.312, 'phi41': 107.555, 'C43': -289293.562, 'phi43': 60.982, 'C45': -353779.719, 'phi45': 42.212, 'C50': -19880760.0, 'C52': 17803310.0, 'phi52': 185.556, 'C54': 4128458.75, 'phi54': 17.824, 'C56': -9667259.0, 'phi56': 2.063}
69
+ 2026-06-24 05:35:36,808 - beam_kev: None
70
+ 2026-06-24 05:35:36,808 - probe_dRn: None
71
+ 2026-06-24 05:35:36,808 - probe_Rn: None
72
+ 2026-06-24 05:35:36,808 - probe_D_H: None
73
+ 2026-06-24 05:35:36,808 - probe_D_FZP: None
74
+ 2026-06-24 05:35:36,808 - probe_Ls: None
75
+ 2026-06-24 05:35:36,808 - meas_Npix: 128
76
+ 2026-06-24 05:35:36,808 - pos_N_scans: 256
77
+ 2026-06-24 05:35:36,808 - pos_N_scan_slow: 16
78
+ 2026-06-24 05:35:36,808 - pos_N_scan_fast: 16
79
+ 2026-06-24 05:35:36,808 - pos_scan_step_size: 0.37385937571525574
80
+ 2026-06-24 05:35:36,808 - meas_calibration: {'mode': 'kMax', 'value': 2.5}
81
+ 2026-06-24 05:35:36,808 - probe_pmode_max: 6
82
+ 2026-06-24 05:35:36,808 - probe_pmode_init_pows: [0.02]
83
+ 2026-06-24 05:35:36,808 - obj_omode_max: 1
84
+ 2026-06-24 05:35:36,809 - obj_omode_init_occu: {'occu_type': 'uniform', 'init_occu': None}
85
+ 2026-06-24 05:35:36,809 - obj_Nlayer: 1
86
+ 2026-06-24 05:35:36,809 - obj_slice_thickness: 20.0
87
+ 2026-06-24 05:35:36,809 - simu_Npix: None
88
+ 2026-06-24 05:35:36,809 - simu_match_mode: None
89
+ 2026-06-24 05:35:36,809 - meas_permute: None
90
+ 2026-06-24 05:35:36,809 - meas_reshape: [256, 128, 128]
91
+ 2026-06-24 05:35:36,809 - meas_flipT: [0, 0, 0]
92
+ 2026-06-24 05:35:36,809 - meas_crop: None
93
+ 2026-06-24 05:35:36,809 - meas_pad: None
94
+ 2026-06-24 05:35:36,809 - meas_resample: None
95
+ 2026-06-24 05:35:36,809 - meas_add_source_size: None
96
+ 2026-06-24 05:35:36,809 - meas_add_detector_blur: None
97
+ 2026-06-24 05:35:36,809 - meas_remove_neg_values: {'mode': 'clip_neg', 'value': None, 'force': False}
98
+ 2026-06-24 05:35:36,809 - meas_normalization: {'mode': 'max_at_one', 'value': None}
99
+ 2026-06-24 05:35:36,809 - meas_add_poisson_noise: None
100
+ 2026-06-24 05:35:36,809 - meas_export: None
101
+ 2026-06-24 05:35:36,809 - probe_permute: None
102
+ 2026-06-24 05:35:36,809 - probe_z_shift: None
103
+ 2026-06-24 05:35:36,809 - probe_normalization: {'mode': 'mean_total_ints', 'value': None}
104
+ 2026-06-24 05:35:36,809 - pos_scan_flipT: None
105
+ 2026-06-24 05:35:36,809 - pos_scan_affine: None
106
+ 2026-06-24 05:35:36,809 - pos_scan_rand_std: 0.15
107
+ 2026-06-24 05:35:36,809 - obj_z_crop: None
108
+ 2026-06-24 05:35:36,809 - obj_z_pad: None
109
+ 2026-06-24 05:35:36,809 - obj_z_resample: None
110
+ 2026-06-24 05:35:36,809 - meas_source: file
111
+ 2026-06-24 05:35:36,809 - meas_params: {'path': '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000006_measurement.h5', 'key': 'measurement', 'shape': None, 'offset': None, 'gap': None, 'selection': None, 'zarr_kwargs': None}
112
+ 2026-06-24 05:35:36,809 - probe_source: simu
113
+ 2026-06-24 05:35:36,809 - probe_params: None
114
+ 2026-06-24 05:35:36,809 - pos_source: simu
115
+ 2026-06-24 05:35:36,809 - pos_params: None
116
+ 2026-06-24 05:35:36,809 - obj_source: simu
117
+ 2026-06-24 05:35:36,809 - obj_params: None
118
+ 2026-06-24 05:35:36,809 - tilt_source: simu
119
+ 2026-06-24 05:35:36,809 - tilt_params: {'tilt_type': 'all', 'init_tilts': [[0, 0]]}
120
+ 2026-06-24 05:35:36,809 -
121
+ 2026-06-24 05:35:36,809 - ### Initializing cache ###
122
+ 2026-06-24 05:35:36,809 - use_cached_obj = False
123
+ 2026-06-24 05:35:36,810 - use_cached_probe = False
124
+ 2026-06-24 05:35:36,810 - use_cached_pos = False
125
+ 2026-06-24 05:35:36,810 -
126
+ 2026-06-24 05:35:36,810 - ### Initializing measurements ###
127
+ 2026-06-24 05:35:36,810 - Loading measurements from source = 'file'
128
+ 2026-06-24 05:35:36,810 - Detected measurement file type = '.h5'
129
+ 2026-06-24 05:35:36,889 - Original measurements dtype is float32, casting to float32 (single precision) for computational efficiency.
130
+ 2026-06-24 05:35:36,889 - Imported meausrements shape / dtype = (16, 16, 128, 128), dtype = float32
131
+ 2026-06-24 05:35:36,891 - Imported meausrements int. statistics (min, mean, max) = (0.0000, 0.0001, 0.0055)
132
+ 2026-06-24 05:35:36,891 - Reshaping measurements to shape = [256, 128, 128]
133
+ 2026-06-24 05:35:36,891 - Flipping measurements with [flipud, fliplr, transpose] = [0, 0, 0]
134
+ 2026-06-24 05:35:36,892 - No negative values found in measurements. Skipping non-neg correction.
135
+ 2026-06-24 05:35:36,892 - Normalizing measurements with mode = 'max_at_one' and value = 'None'
136
+ 2026-06-24 05:35:36,893 - Normalizing by max of the 2D mean pattern intensity: 0.0034246303
137
+ 2026-06-24 05:35:36,894 - meausrements shape / dtype = (256, 128, 128), dtype = float32
138
+ 2026-06-24 05:35:36,895 - meausrements int. statistics (min, mean, max) = (0.0000, 0.0176, 1.6097)
139
+ 2026-06-24 05:35:36,895 - No negative values found in measurements. Skipping non-neg correction.
140
+ 2026-06-24 05:35:36,897 - Pattern total int. statistics (min, mean, max) = (284.3222, 287.9081, 290.7194), with min/max = 97.8%
141
+ 2026-06-24 05:35:36,898 - Global meausrements int. statistics (min, mean, max) = (0.0000, 0.0176, 1.6097)
142
+ 2026-06-24 05:35:36,898 - measurements (N, Ky, Kx) = float32, (256, 128, 128)
143
+ 2026-06-24 05:35:36,898 -
144
+ 2026-06-24 05:35:36,898 - ### Setting up calibration ###
145
+ 2026-06-24 05:35:36,898 - meas_calibration mode = 'kMax', value = 2.5
146
+ 2026-06-24 05:35:36,898 - Using loaded raw averaged measurement (before crop/pad/resample) to fit RBF as a part of the meas calibration
147
+ 2026-06-24 05:35:36,898 - Radius of fitted bright field disk (RBF) = 8.72 px with meas_Npix = 128
148
+ 2026-06-24 05:35:36,898 - Suggested probe_mask_k radius (RBF*2/Npix) > 0.1363
149
+ 2026-06-24 05:35:36,898 - Fitting raw averaged measurement with center, radius, and Gaussian blur std as a sanity check
150
+ 2026-06-24 05:35:36,898 - Note that the fitted Gaussian blur std (detector blur) would be affected by overlapping Bragg disks
151
+ 2026-06-24 05:35:37,120 - Initial guess: center=(63.64, 63.62), radius=8.72, Gaussian blur std=0.50
152
+ 2026-06-24 05:35:37,134 - Final fit: center=(63.64, 63.62), radius=8.72, Gaussian blur std=0.78
153
+ 2026-06-24 05:35:37,134 - Using init_params, the inferred RBF (conv_angle / 1e3 * Npix * dx / wavelength) = 8.82 px with Npix = 128
154
+ 2026-06-24 05:35:37,134 - dx (real space pixel size of probe and object) set to 0.2000 Ang with Npix = 128
155
+ 2026-06-24 05:35:37,134 -
156
+ 2026-06-24 05:35:37,134 - ### Setting init_variables dict ###
157
+ 2026-06-24 05:35:37,134 - Derived values given input init_params:
158
+ 2026-06-24 05:35:37,134 - kv = 100.0 kV
159
+ 2026-06-24 05:35:37,134 - wavelength = 0.0370 Ang
160
+ 2026-06-24 05:35:37,134 - conv_angle = 12.753067016601562 mrad
161
+ 2026-06-24 05:35:37,134 - Npix = 128 px
162
+ 2026-06-24 05:35:37,134 - dk = 0.0391 Ang^-1
163
+ 2026-06-24 05:35:37,135 - kMax = 2.5000 Ang^-1
164
+ 2026-06-24 05:35:37,135 - da = 1.4459 mrad
165
+ 2026-06-24 05:35:37,135 - angleMax = 92.5359 mrad
166
+ 2026-06-24 05:35:37,135 - RBF = 8.8203 px (Inferred from the given calibration, NOT necessarily from the loaded measurement data)
167
+ 2026-06-24 05:35:37,135 - n_alpha = 7.2560 (# conv_angle)
168
+ 2026-06-24 05:35:37,135 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
169
+ 2026-06-24 05:35:37,135 - Rayleigh-limited resolution = 1.7705 Ang (0.61*lambda/alpha for focused probe )
170
+ 2026-06-24 05:35:37,135 - Real space probe extent = 25.6000 Ang
171
+ 2026-06-24 05:35:37,135 -
172
+ 2026-06-24 05:35:37,135 - ### Initializing probe ###
173
+ 2026-06-24 05:35:37,135 - Loading probe from source = 'simu'
174
+ 2026-06-24 05:35:37,135 - Using experimental parameters specified by 'init_params' for initial probe simulation.
175
+ 2026-06-24 05:35:37,135 - Start simulating STEM probe
176
+ 2026-06-24 05:35:37,135 - kv = 100.0 kV
177
+ 2026-06-24 05:35:37,135 - wavelength = 0.0370 Ang
178
+ 2026-06-24 05:35:37,135 - conv_angle = 12.753067016601562 mrad
179
+ 2026-06-24 05:35:37,135 - Npix = 128 px
180
+ 2026-06-24 05:35:37,135 - dk = 0.0391 Ang^-1
181
+ 2026-06-24 05:35:37,135 - kMax = 2.5000 Ang^-1
182
+ 2026-06-24 05:35:37,135 - alpha_max = 92.5359 mrad
183
+ 2026-06-24 05:35:37,135 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
184
+ 2026-06-24 05:35:37,135 - Rayleigh-limited resolution = 1.7705 Ang (0.61*lambda/alpha for focused probe )
185
+ 2026-06-24 05:35:37,135 - Real space probe extent = 25.6000 Ang
186
+ 2026-06-24 05:35:37,135 - Krivanek Haider Magnitude Angle (°) Description
187
+ 2026-06-24 05:35:37,136 - ------------------------------------------------------------------------------------
188
+ 2026-06-24 05:35:37,136 - C1,0 C1 13.4680 - Defocus (C10 = -df)
189
+ 2026-06-24 05:35:37,136 - C1,2 A1 -30.2760 57.83 2-fold astigmatism
190
+ 2026-06-24 05:35:37,136 - C2,1 3*B2 906.5790 174.00 Axial coma
191
+ 2026-06-24 05:35:37,136 - C2,3 A2 -612.9950 112.89 3-fold astigmatism
192
+ 2026-06-24 05:35:37,136 - C3,0 C3 2811631.5000 - Spherical aberration
193
+ 2026-06-24 05:35:37,136 - C3,2 4*S3 -2623.8530 300.32 Axial star aberration
194
+ 2026-06-24 05:35:37,136 - C3,4 A3 676.3960 209.60 4-fold astigmatism
195
+ 2026-06-24 05:35:37,136 - C4,1 4*B4 -310396.3120 107.56 Axial coma(4th)
196
+ 2026-06-24 05:35:37,136 - C4,3 4*D4 -289293.5620 60.98 3-lobe aberration
197
+ 2026-06-24 05:35:37,136 - C4,5 A4 -353779.7190 42.21 5-fold astigmatism
198
+ 2026-06-24 05:35:37,136 - C5,0 C5 -19880760.0000 - Spherical aberration (5th)
199
+ 2026-06-24 05:35:37,136 - C5,2 6*S5 17803310.0000 185.56 Axial star aberration(5th)
200
+ 2026-06-24 05:35:37,136 - C5,4 6*R5 4128458.7500 17.82 4-lobe aberration
201
+ 2026-06-24 05:35:37,136 - C5,6 A5 -9667259.0000 2.06 6-fold astigmatism
202
+ 2026-06-24 05:35:37,139 - Loaded probe shape = (1, 128, 128), dtype = complex128
203
+ 2026-06-24 05:35:37,139 - pmode_now: 1 and pmode_max: 6, padding the pmode.
204
+ 2026-06-24 05:35:37,139 - Creating 5 new probe modes from the major mode
205
+ 2026-06-24 05:35:37,139 - Start making mixed-state STEM probe with 6 incoherent probe modes
206
+ 2026-06-24 05:35:37,332 - Relative power of probe modes = [0.9 0.02 0.02 0.02 0.02 0.02]
207
+ 2026-06-24 05:35:37,333 - Orthogonalizing 6 pmodes
208
+ 2026-06-24 05:35:37,335 - Sorting 6 pmodes by their intensities
209
+ 2026-06-24 05:35:37,336 - Normalizing probe intensity with mode = 'mean_total_ints' and value = 'None'
210
+ 2026-06-24 05:35:37,337 - sum(|probe_data|**2) = 287.91, while meas_total_ints (min, mean, max) = (284.3222, 287.9081, 290.7194)
211
+ 2026-06-24 05:35:37,337 - probe (pmode, Ny, Nx) = complex64, (6, 128, 128)
212
+ 2026-06-24 05:35:37,337 -
213
+ 2026-06-24 05:35:37,337 - ### Initializing probe positions ###
214
+ 2026-06-24 05:35:37,337 - Loading probe positions from source = 'simu'
215
+ 2026-06-24 05:35:37,337 - Using experimental parameters specified by 'init_params' (dx, scan_step size, N_scan_slow, N_scan_fast) for initial position simulation.
216
+ 2026-06-24 05:35:37,337 - Simulating probe positions with dx = 0.2000, scan_step_size = 0.3739, N_scan_fast = 16, N_scan_slow = 16
217
+ 2026-06-24 05:35:37,337 - Applying Gaussian distributed random displacement with std = 0.15 px to scan positions
218
+ 2026-06-24 05:35:37,339 - crop_pos (N,2) = int16, (256, 2)
219
+ 2026-06-24 05:35:37,339 - crop_pos 1st and last px coords (y,x) = ([16, 16], [44, 44])
220
+ 2026-06-24 05:35:37,339 - crop_pos extent (Ang) = [5.6 5.6]
221
+ 2026-06-24 05:35:37,339 - probe_pos_shifts (N,2) = float32, (256, 2)
222
+ 2026-06-24 05:35:37,339 -
223
+ 2026-06-24 05:35:37,339 - ### Initializing object ###
224
+ 2026-06-24 05:35:37,339 - Loading object from source = 'simu'
225
+ 2026-06-24 05:35:37,339 - Using experimental parameters specified by 'init_params' for initial object simulation.
226
+ 2026-06-24 05:35:37,341 - omode_now: 1 and omode_max: 1, leaving the omode unchanged.
227
+ 2026-06-24 05:35:37,341 - object (omode, Nz, Ny, Nx) = complex64, (1, 1, 188, 188)
228
+ 2026-06-24 05:35:37,341 - object extent (Z, Y, X) (Ang) = [20. 37.6 37.6]
229
+ 2026-06-24 05:35:37,341 -
230
+ 2026-06-24 05:35:37,341 - ### Initializing omode_occu from 'uniform' ###
231
+ 2026-06-24 05:35:37,341 - omode_occu (omode) = float32, (1,)
232
+ 2026-06-24 05:35:37,341 -
233
+ 2026-06-24 05:35:37,341 - ### Initializing H (Fresnel propagator) ###
234
+ 2026-06-24 05:35:37,341 - Calculating H with probe_shape = (128, 128) px, dx = 0.2000 Ang, slice_thickness = 20.0000 Ang, lambd = 0.0370 Ang
235
+ 2026-06-24 05:35:37,342 - H (Ky, Kx) = complex64, (128, 128)
236
+ 2026-06-24 05:35:37,342 -
237
+ 2026-06-24 05:35:37,342 - ### Initializing obj tilts from = 'simu' ###
238
+ 2026-06-24 05:35:37,342 - Initialized obj_tilts with init_tilts = [[0, 0]] (theta_y, theta_x) mrad
239
+ 2026-06-24 05:35:37,342 - obj_tilts (N, 2) = float32, (1, 2)
240
+ 2026-06-24 05:35:37,342 -
241
+ 2026-06-24 05:35:37,342 - ### Checking consistency between input params with the initialized variables ###
242
+ 2026-06-24 05:35:37,342 - meas_Npix, simu_Npix, DP measurements, probe, and H shapes are consistent as '128'
243
+ 2026-06-24 05:35:37,342 - N_scans, len(meas), N_scan_slow*N_scan_fast, len(crop_pos), and len(probe_pos_shifts) are consistent as '256'
244
+ 2026-06-24 05:35:37,342 - obj.shape[0] is consistent with len(omode_occu) as '1'
245
+ 2026-06-24 05:35:37,342 - obj.shape[1] is consistent with Nlayer as '1'
246
+ 2026-06-24 05:35:37,342 - crop positions (yx_min=[16 16], yx_max=[172 172]) are well contained inside object canvas (Ny,Nx) = (188, 188).
247
+ 2026-06-24 05:35:37,342 - obj_tilts is consistent with either 1 or N_scans
248
+ 2026-06-24 05:35:37,343 - Pass the consistency check of initialized variables, initialization is done!
249
+ 2026-06-24 05:35:37,343 -
250
+ 2026-06-24 05:35:37,343 - ### Collecting reconstruction provenance ###
251
+ 2026-06-24 05:35:37,343 - Reconstruction provenance is collected and initialized.
252
+ 2026-06-24 05:35:37,343 -
253
+ 2026-06-24 05:35:37,343 - ### Initializing loss function ###
254
+ 2026-06-24 05:35:37,343 - Active loss types:
255
+ 2026-06-24 05:35:37,343 - loss_single : {'state': True, 'weight': 1.0, 'dp_pow': 0.5}
256
+ 2026-06-24 05:35:37,343 -
257
+ 2026-06-24 05:35:37,343 - ### Initializing constraint function ###
258
+ 2026-06-24 05:35:37,343 - Active constraint types:
259
+ 2026-06-24 05:35:37,343 - ortho_pmode : {'start_iter': 1, 'step': 1, 'end_iter': None}
260
+ 2026-06-24 05:35:37,343 - fix_probe_int : {'start_iter': 1, 'step': 1, 'end_iter': None}
261
+ 2026-06-24 05:35:37,343 - obj_zblur : {'start_iter': 1, 'step': 1, 'end_iter': None, 'obj_type': 'both', 'kernel_size': 5, 'std': 1.0}
262
+ 2026-06-24 05:35:37,343 - obja_thresh : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0, 'thresh': [0.96, 1.04]}
263
+ 2026-06-24 05:35:37,343 - pos_recenter : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0}
264
+ 2026-06-24 05:35:37,343 -
265
+ 2026-06-24 05:35:37,343 - ### Done initializing PtyRADSolver ###
266
+ 2026-06-24 05:35:37,343 -
267
+ 2026-06-24 05:35:37,469 - ### Starting the PtyRADSolver in reconstruct mode ###
268
+ 2026-06-24 05:35:37,469 -
269
+ 2026-06-24 05:35:37,470 - ### Initializing PtychoModel model ###
270
+ 2026-06-24 05:35:37,540 - ### PtychoModel optimizable variables ###
271
+ 2026-06-24 05:35:37,541 - obja : torch.Size([1, 1, 188, 188]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
272
+ 2026-06-24 05:35:37,541 - objp : torch.Size([1, 1, 188, 188]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
273
+ 2026-06-24 05:35:37,541 - obj_tilts : torch.Size([1, 2]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
274
+ 2026-06-24 05:35:37,541 - slice_thickness : torch.Size([]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
275
+ 2026-06-24 05:35:37,541 - probe : torch.Size([6, 128, 128, 2]) , torch.float32 , device:cuda:0, grad:True , lr:1e-04
276
+ 2026-06-24 05:35:37,541 - probe_pos_shifts: torch.Size([256, 2]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
277
+ 2026-06-24 05:35:37,541 -
278
+ 2026-06-24 05:35:37,541 - ### Optimizable variables statitsics ###
279
+ 2026-06-24 05:35:37,541 - Total measurement values : 4,194,304
280
+ 2026-06-24 05:35:37,541 - Total optimizing variables: 267,808
281
+ 2026-06-24 05:35:37,541 - Overdetermined ratio : 15.66
282
+ 2026-06-24 05:35:37,541 -
283
+ 2026-06-24 05:35:37,541 - ### Model behavior ###
284
+ 2026-06-24 05:35:37,541 - Tilt propagator : False
285
+ 2026-06-24 05:35:37,541 - Change slice thickness : False
286
+ 2026-06-24 05:35:37,541 - Detector blur : False
287
+ 2026-06-24 05:35:37,541 - Preload data : True
288
+ 2026-06-24 05:35:37,541 - On-the-fly meas padding : False
289
+ 2026-06-24 05:35:37,541 - On-the-fly meas resample : False
290
+ 2026-06-24 05:35:37,541 - On-the-fly simu match mode: None
291
+ 2026-06-24 05:35:37,541 -
292
+ 2026-06-24 05:35:37,582 - ### Done initializing PtychoModel model ###
293
+ 2026-06-24 05:35:37,582 -
294
+ 2026-06-24 05:35:37,583 - ### Creating PyTorch 'Adam' optimizer with configs = {} ###
295
+ 2026-06-24 05:35:37,583 -
296
+ 2026-06-24 05:35:37,583 - ### Generating indices, batches, and output_path ###
297
+ 2026-06-24 05:35:37,584 - d90 = 57.000 px or 11.400 Ang
298
+ 2026-06-24 05:35:37,584 - Selecting indices with the 'full' mode
299
+ 2026-06-24 05:35:38,051 - Generated 8 'random' groups of ~32 scan positions in 0.000 sec
300
+ 2026-06-24 05:35:38,124 - The effective batch size (i.e., how many probe positions are simultaneously used for 1 update of ptychographic parameters) is batch_size * grad_accumulation = 32 * 1 = 32
301
+ 2026-06-24 05:35:38,124 - Original recon_dir_affixes = ['default']
302
+ 2026-06-24 05:35:38,124 - Expanded recon_dir_affixes = ['indices', 'meas', 'batch', 'pmode', 'omode', 'nlayer', 'lr', 'model', 'constraint', 'loss', 'affine', 'tilt', 'aberrations']
303
+ 2026-06-24 05:35:38,130 - Path corrected for compatibility:
304
+ 2026-06-24 05:35:38,130 - Original: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32_300_C34_676_phi34_210_C41_-3.1e+05_phi41_108_C43_-2.89e+05_phi43_61_C45_-3.54e+05_phi45_42.2_C50_-1.99e+07_C52_1.78e+07_phi52_186_C54_4.13e+06_phi54_17.8_C56_-9.67e+06_phi56_2.06
305
+ 2026-06-24 05:35:38,130 - Corrected: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06
306
+ 2026-06-24 05:35:38,132 - output_path = '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06' is generated!
307
+ 2026-06-24 05:35:38,278 -
308
+ 2026-06-24 05:35:38,279 - ### Log file is flushed (created) as /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06/20260624_053538_ptyrad_log.txt ###
309
+ 2026-06-24 05:35:38,279 -
310
+ 2026-06-24 05:35:38,281 - ### Creating ConvergenceMonitor with {'tensors': ['obja', 'objp', 'probe', 'probe_pos_shifts'], 'every_n_iters': None, 'percentile_range': [15.0, 85.0]} ###
311
+ 2026-06-24 05:35:38,281 - ### Start the PtyRAD iterative ptycho reconstruction ###
312
+ 2026-06-24 05:35:38,281 - Setting up PyTorch compiler with {'fullgraph': False, 'dynamic': None, 'backend': 'inductor', 'mode': 'default', 'options': None, 'disable': True}
313
+ 2026-06-24 05:35:39,475 - Iter: 1, Total Loss: 1.1613, loss_single: 1.1613, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.436 sec
314
+ 2026-06-24 05:35:39,512 - Iter: 2, Total Loss: 1.1273, loss_single: 1.1273, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
315
+ 2026-06-24 05:35:39,548 - Iter: 3, Total Loss: 1.0952, loss_single: 1.0952, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
316
+ 2026-06-24 05:35:39,583 - Iter: 4, Total Loss: 1.0668, loss_single: 1.0668, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
317
+ 2026-06-24 05:35:39,618 - Iter: 5, Total Loss: 1.0430, loss_single: 1.0430, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
318
+ 2026-06-24 05:35:39,653 - Iter: 6, Total Loss: 1.0186, loss_single: 1.0186, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
319
+ 2026-06-24 05:35:39,689 - Iter: 7, Total Loss: 0.9935, loss_single: 0.9935, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
320
+ 2026-06-24 05:35:39,724 - Iter: 8, Total Loss: 0.9708, loss_single: 0.9708, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
321
+ 2026-06-24 05:35:39,759 - Iter: 9, Total Loss: 0.9497, loss_single: 0.9497, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
322
+ 2026-06-24 05:35:39,794 - Iter: 10, Total Loss: 0.9265, loss_single: 0.9265, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
323
+ 2026-06-24 05:35:39,829 - Iter: 11, Total Loss: 0.9039, loss_single: 0.9039, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
324
+ 2026-06-24 05:35:39,864 - Iter: 12, Total Loss: 0.8820, loss_single: 0.8820, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
325
+ 2026-06-24 05:35:39,900 - Iter: 13, Total Loss: 0.8592, loss_single: 0.8592, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
326
+ 2026-06-24 05:35:39,935 - Iter: 14, Total Loss: 0.8341, loss_single: 0.8341, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
327
+ 2026-06-24 05:35:39,971 - Iter: 15, Total Loss: 0.8085, loss_single: 0.8085, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
328
+ 2026-06-24 05:35:40,006 - Iter: 16, Total Loss: 0.7852, loss_single: 0.7852, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
329
+ 2026-06-24 05:35:40,041 - Iter: 17, Total Loss: 0.7626, loss_single: 0.7626, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,077 - Iter: 18, Total Loss: 0.7376, loss_single: 0.7376, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,112 - Iter: 19, Total Loss: 0.7110, loss_single: 0.7110, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,148 - Iter: 20, Total Loss: 0.6893, loss_single: 0.6893, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,183 - Iter: 21, Total Loss: 0.6689, loss_single: 0.6689, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,218 - Iter: 22, Total Loss: 0.6505, loss_single: 0.6505, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,254 - Iter: 23, Total Loss: 0.6355, loss_single: 0.6355, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,289 - Iter: 24, Total Loss: 0.6166, loss_single: 0.6166, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,324 - Iter: 25, Total Loss: 0.5999, loss_single: 0.5999, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,359 - Iter: 26, Total Loss: 0.5858, loss_single: 0.5858, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:35:40,397 - Iter: 27, Total Loss: 0.5696, loss_single: 0.5696, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.038 sec
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+ 2026-06-24 05:35:40,433 - Iter: 28, Total Loss: 0.5563, loss_single: 0.5563, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:35:40,468 - Iter: 29, Total Loss: 0.5453, loss_single: 0.5453, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,503 - Iter: 30, Total Loss: 0.5340, loss_single: 0.5340, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:35:40,539 - Iter: 31, Total Loss: 0.5225, loss_single: 0.5225, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,574 - Iter: 32, Total Loss: 0.5108, loss_single: 0.5108, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,609 - Iter: 33, Total Loss: 0.4996, loss_single: 0.4996, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,644 - Iter: 34, Total Loss: 0.4878, loss_single: 0.4878, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,679 - Iter: 35, Total Loss: 0.4775, loss_single: 0.4775, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,735 - Iter: 36, Total Loss: 0.4706, loss_single: 0.4706, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,770 - Iter: 37, Total Loss: 0.4642, loss_single: 0.4642, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,806 - Iter: 38, Total Loss: 0.4580, loss_single: 0.4580, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,841 - Iter: 39, Total Loss: 0.4521, loss_single: 0.4521, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,877 - Iter: 40, Total Loss: 0.4466, loss_single: 0.4466, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,913 - Iter: 41, Total Loss: 0.4425, loss_single: 0.4425, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,948 - Iter: 42, Total Loss: 0.4394, loss_single: 0.4394, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:40,984 - Iter: 43, Total Loss: 0.4364, loss_single: 0.4364, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,020 - Iter: 44, Total Loss: 0.4336, loss_single: 0.4336, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:35:41,055 - Iter: 45, Total Loss: 0.4313, loss_single: 0.4313, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,090 - Iter: 46, Total Loss: 0.4288, loss_single: 0.4288, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,126 - Iter: 47, Total Loss: 0.4259, loss_single: 0.4259, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,161 - Iter: 48, Total Loss: 0.4230, loss_single: 0.4230, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,197 - Iter: 49, Total Loss: 0.4211, loss_single: 0.4211, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,232 - Iter: 50, Total Loss: 0.4196, loss_single: 0.4196, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,268 - Iter: 51, Total Loss: 0.4178, loss_single: 0.4178, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,303 - Iter: 52, Total Loss: 0.4160, loss_single: 0.4160, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,338 - Iter: 53, Total Loss: 0.4145, loss_single: 0.4145, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,373 - Iter: 54, Total Loss: 0.4133, loss_single: 0.4133, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,409 - Iter: 55, Total Loss: 0.4126, loss_single: 0.4126, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,444 - Iter: 56, Total Loss: 0.4119, loss_single: 0.4119, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,479 - Iter: 57, Total Loss: 0.4113, loss_single: 0.4113, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,515 - Iter: 58, Total Loss: 0.4107, loss_single: 0.4107, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,550 - Iter: 59, Total Loss: 0.4102, loss_single: 0.4102, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,586 - Iter: 60, Total Loss: 0.4096, loss_single: 0.4096, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,621 - Iter: 61, Total Loss: 0.4089, loss_single: 0.4089, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,656 - Iter: 62, Total Loss: 0.4083, loss_single: 0.4083, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,692 - Iter: 63, Total Loss: 0.4078, loss_single: 0.4078, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,728 - Iter: 64, Total Loss: 0.4073, loss_single: 0.4073, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,763 - Iter: 65, Total Loss: 0.4069, loss_single: 0.4069, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,799 - Iter: 66, Total Loss: 0.4064, loss_single: 0.4064, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,834 - Iter: 67, Total Loss: 0.4061, loss_single: 0.4061, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,869 - Iter: 68, Total Loss: 0.4057, loss_single: 0.4057, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,904 - Iter: 69, Total Loss: 0.4053, loss_single: 0.4053, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:41,940 - Iter: 70, Total Loss: 0.4050, loss_single: 0.4050, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:35:41,976 - Iter: 71, Total Loss: 0.4047, loss_single: 0.4047, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,011 - Iter: 72, Total Loss: 0.4043, loss_single: 0.4043, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,046 - Iter: 73, Total Loss: 0.4040, loss_single: 0.4040, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,081 - Iter: 74, Total Loss: 0.4037, loss_single: 0.4037, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,116 - Iter: 75, Total Loss: 0.4034, loss_single: 0.4034, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,152 - Iter: 76, Total Loss: 0.4031, loss_single: 0.4031, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,188 - Iter: 77, Total Loss: 0.4028, loss_single: 0.4028, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,223 - Iter: 78, Total Loss: 0.4025, loss_single: 0.4025, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,258 - Iter: 79, Total Loss: 0.4022, loss_single: 0.4022, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:35:42,293 - Iter: 80, Total Loss: 0.4019, loss_single: 0.4019, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,329 - Iter: 81, Total Loss: 0.4016, loss_single: 0.4016, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,364 - Iter: 82, Total Loss: 0.4013, loss_single: 0.4013, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,399 - Iter: 83, Total Loss: 0.4010, loss_single: 0.4010, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,435 - Iter: 84, Total Loss: 0.4007, loss_single: 0.4007, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,470 - Iter: 85, Total Loss: 0.4004, loss_single: 0.4004, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,505 - Iter: 86, Total Loss: 0.4001, loss_single: 0.4001, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,540 - Iter: 87, Total Loss: 0.3999, loss_single: 0.3999, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,576 - Iter: 88, Total Loss: 0.3996, loss_single: 0.3996, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,610 - Iter: 89, Total Loss: 0.3993, loss_single: 0.3993, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,645 - Iter: 90, Total Loss: 0.3990, loss_single: 0.3990, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:35:42,681 - Iter: 91, Total Loss: 0.3987, loss_single: 0.3987, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,718 - Iter: 92, Total Loss: 0.3984, loss_single: 0.3984, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
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+ 2026-06-24 05:35:42,754 - Iter: 93, Total Loss: 0.3981, loss_single: 0.3981, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,789 - Iter: 94, Total Loss: 0.3978, loss_single: 0.3978, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,824 - Iter: 95, Total Loss: 0.3975, loss_single: 0.3975, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,860 - Iter: 96, Total Loss: 0.3972, loss_single: 0.3972, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,895 - Iter: 97, Total Loss: 0.3969, loss_single: 0.3969, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,931 - Iter: 98, Total Loss: 0.3966, loss_single: 0.3966, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:42,966 - Iter: 99, Total Loss: 0.3963, loss_single: 0.3963, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:43,001 - Iter: 100, Total Loss: 0.3959, loss_single: 0.3959, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:35:43,115 - Saving summary figures for iter 100
414
+ 2026-06-24 05:35:46,825 - ### Finished 100 iterations, averaged iter_t = 0.038995 with std = 0.040 ###
415
+ 2026-06-24 05:35:46,825 -
416
+ 2026-06-24 05:35:46,825 - ### The PtyRADSolver is finished in 9.356 sec ###
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+ 2026-06-24 05:35:46,825 -
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06/objp_crop_08bit_iter0100.tif ADDED
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006/c30_small__simulation_data1__sample_000006_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_13.5_C12_-30.3_phi12_57.8_C21_907_phi21_174_C23_-613_phi23_113_C30_2.81e+06_C32_-2.62e+03_phi32.06/simulation_data1__sample_000006.yaml ADDED
@@ -0,0 +1,140 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ init_params:
2
+ probe_kv: 100.0
3
+ probe_conv_angle: 12.753067016601562
4
+ probe_aberrations:
5
+ C10: 13.468389511108398
6
+ C12: -30.27562141418457
7
+ C21: 906.5794067382812
8
+ C23: -612.9951171875
9
+ C30: 2811631.5
10
+ C32: -2623.8525390625
11
+ C34: 676.3961791992188
12
+ C41: -310396.3125
13
+ C43: -289293.5625
14
+ C45: -353779.71875
15
+ C50: -19880760.0
16
+ C52: 17803310.0
17
+ C54: 4128458.75
18
+ C56: -9667259.0
19
+ phi12: 57.8331173252764
20
+ phi21: 174.0047518234643
21
+ phi23: 112.89017256429281
22
+ phi32: 300.3208769750894
23
+ phi34: 209.6041349096776
24
+ phi41: 107.55490689792074
25
+ phi43: 60.9820121175707
26
+ phi45: 42.21222197645795
27
+ phi52: 185.55604971005988
28
+ phi54: 17.823547686330233
29
+ phi56: 2.0629896965804164
30
+ meas_Npix: 128
31
+ pos_N_scan_slow: 16
32
+ pos_N_scan_fast: 16
33
+ pos_scan_step_size: 0.37385937571525574
34
+ probe_pmode_max: 6
35
+ obj_Nlayer: 1
36
+ obj_slice_thickness: 20.0
37
+ meas_permute: null
38
+ meas_reshape:
39
+ - 256
40
+ - 128
41
+ - 128
42
+ meas_flipT:
43
+ - 0
44
+ - 0
45
+ - 0
46
+ meas_crop: null
47
+ meas_pad: null
48
+ meas_resample: null
49
+ pos_scan_affine: null
50
+ meas_params:
51
+ path: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000006_measurement.h5
52
+ key: measurement
53
+ random_seed: 20261850
54
+ obj_omode_max: 1
55
+ meas_calibration:
56
+ mode: kMax
57
+ value: 2.5
58
+ model_params:
59
+ detector_blur_std: null
60
+ update_params:
61
+ obja:
62
+ start_iter: 1
63
+ lr: 0.0005
64
+ end_iter: null
65
+ objp:
66
+ start_iter: 1
67
+ lr: 0.0005
68
+ end_iter: null
69
+ probe:
70
+ start_iter: 1
71
+ lr: 0.0001
72
+ end_iter: null
73
+ probe_pos_shifts:
74
+ start_iter: 1
75
+ lr: 0.0005
76
+ end_iter: null
77
+ loss_params:
78
+ loss_single:
79
+ state: true
80
+ weight: 1.0
81
+ dp_pow: 0.5
82
+ loss_poissn:
83
+ state: false
84
+ weight: 1.0
85
+ dp_pow: 1.0
86
+ eps: 1.0e-06
87
+ loss_sparse:
88
+ state: false
89
+ weight: 0.1
90
+ ln_order: 1
91
+ constraint_params:
92
+ ortho_pmode:
93
+ start_iter: 1
94
+ step: 1
95
+ end_iter: null
96
+ fix_probe_int:
97
+ start_iter: 1
98
+ step: 1
99
+ end_iter: null
100
+ obj_rblur:
101
+ start_iter: null
102
+ step: 1
103
+ end_iter: null
104
+ obj_type: both
105
+ kernel_size: 5
106
+ std: 0.4
107
+ obj_zblur:
108
+ start_iter: 1
109
+ step: 1
110
+ end_iter: null
111
+ obj_type: both
112
+ kernel_size: 5
113
+ std: 1
114
+ obja_thresh:
115
+ start_iter: 1
116
+ step: 1
117
+ end_iter: null
118
+ relax: 0
119
+ thresh:
120
+ - 0.96
121
+ - 1.04
122
+ objp_postiv:
123
+ start_iter: null
124
+ step: 1
125
+ end_iter: null
126
+ relax: 0
127
+ recon_params:
128
+ NITER: 100
129
+ BATCH_SIZE:
130
+ size: 32
131
+ grad_accumulation: 1
132
+ SAVE_ITERS: 100
133
+ output_dir: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000006
134
+ recon_dir_affixes:
135
+ - default
136
+ prefix: c30_small__simulation_data1__sample_000006
137
+ postfix: ''
138
+ compiler_configs:
139
+ enable: false
140
+ prefix_time: false
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344/20260624_053608_ptyrad_log.txt ADDED
@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2026-06-24 05:36:06,341 - ### PtyRAD LoggingManager configuration ###
2
+ 2026-06-24 05:36:06,342 - log_file = 'ptyrad_log.txt'. If log_file = None, no log file will be created.
3
+ 2026-06-24 05:36:06,342 - log_dir = 'auto'. If log_dir = 'auto', then log will be saved to `output_path` or 'logs/'.
4
+ 2026-06-24 05:36:06,342 - flush_file = True. Automatically set to True if `log_file is not None`
5
+ 2026-06-24 05:36:06,342 - prefix_time = datetime. If true, preset strings ('date', 'time', 'datetime'), or a string of time format, a datetime str is prefixed to the `log_file`.
6
+ 2026-06-24 05:36:06,342 - prefix_jobid = '0'. If not 0, it'll be prefixed to the log file. This is used for hypertune mode with multiple GPUs.
7
+ 2026-06-24 05:36:06,342 - append_to_file = True. If true, logs will be appended to the existing file. If false, the log file will be overwritten.
8
+ 2026-06-24 05:36:06,342 - show_timestamp = True. If true, the printed information will contain a timestamp.
9
+ 2026-06-24 05:36:06,342 -
10
+ 2026-06-24 05:36:06,449 - ### Initializing HuggingFace accelerator ###
11
+ 2026-06-24 05:36:06,449 - Accelerator.distributed_type = DistributedType.NO
12
+ 2026-06-24 05:36:06,449 - Accelerator.num_process = 1
13
+ 2026-06-24 05:36:06,449 - Accelerator.mixed_precision = no
14
+ 2026-06-24 05:36:06,471 - 'accelerate' is available but NOT using distributed mode or mixed precision
15
+ 2026-06-24 05:36:06,471 - If you want to utilize 'accelerate' for multiGPU or mixed precision,
16
+ 2026-06-24 05:36:06,471 - Run `accelerate launch --multi_gpu --num_processes=2 --mixed_precision='no' -m ptyrad run <PTYRAD_ARGUMENTS> --gpuid 'acc'` in your terminal
17
+ 2026-06-24 05:36:06,471 -
18
+ 2026-06-24 05:36:06,471 - ### System information ###
19
+ 2026-06-24 05:36:06,471 - Platform: Linux-4.18.0-553.69.1.el8_10.x86_64-x86_64-with-glibc2.28
20
+ 2026-06-24 05:36:06,471 - Operating System: Linux 4.18.0-553.69.1.el8_10.x86_64
21
+ 2026-06-24 05:36:06,471 - OS Version: #1 SMP Thu Aug 7 18:10:00 EDT 2025
22
+ 2026-06-24 05:36:06,471 - Machine: x86_64
23
+ 2026-06-24 05:36:06,471 - Processor: x86_64
24
+ 2026-06-24 05:36:06,471 - Available CPU cores: 8
25
+ 2026-06-24 05:36:06,471 - SLURM-Allocated Total Memory: 78.12 GB
26
+ 2026-06-24 05:36:06,471 -
27
+ 2026-06-24 05:36:06,471 - ### GPU information ###
28
+ 2026-06-24 05:36:06,472 - CUDA Available: True
29
+ 2026-06-24 05:36:06,472 - CUDA Version: 13.0
30
+ 2026-06-24 05:36:06,472 - Available CUDA GPUs: ['NVIDIA A100 80GB PCIe']
31
+ 2026-06-24 05:36:06,472 - CUDA Compute Capability: ['8.0']
32
+ 2026-06-24 05:36:06,472 - INFO: For torch.compile with Triton, you'll need CUDA GPU with Compute Capability >= 7.0.
33
+ 2026-06-24 05:36:06,472 - In addition, Triton does not directly support Windows.
34
+ 2026-06-24 05:36:06,472 - For Windows users, please follow the instruction and download `triton-windows` from https://github.com/woct0rdho/triton-windows.
35
+ 2026-06-24 05:36:06,487 - MIG (Multi-Instance GPU) mode = False
36
+ 2026-06-24 05:36:06,487 - INFO: MIG splits a physical GPU into multiple GPU slices, but multiGPU does not support these MIG slices.
37
+ 2026-06-24 05:36:06,487 - In addition, multiGPU is currently only available on Linux due to the limited NCCL support.
38
+ 2026-06-24 05:36:06,487 - -> If you're doing normal reconstruction/hypertune, you can safely ignore this.
39
+ 2026-06-24 05:36:06,487 - -> If you want to do multiGPU, you must provide multiple 'full' GPUs that are not in MIG mode.
40
+ 2026-06-24 05:36:06,487 -
41
+ 2026-06-24 05:36:06,487 - ### Python information ###
42
+ 2026-06-24 05:36:06,489 - Python Executable: /home/tnguye11/anaconda3/envs/ptyrad/bin/python3.12
43
+ 2026-06-24 05:36:06,489 - Python Version: 3.12.13 | packaged by Anaconda, Inc. | (main, Mar 19 2026, 20:20:58) [GCC 14.3.0]
44
+ 2026-06-24 05:36:06,489 -
45
+ 2026-06-24 05:36:06,489 - ### Packages information ###
46
+ 2026-06-24 05:36:06,490 - Numpy Version (metadata): 2.4.6
47
+ 2026-06-24 05:36:06,491 - PyTorch Version (metadata): 2.12.0
48
+ 2026-06-24 05:36:06,491 - Optuna Version (metadata): 4.9.0
49
+ 2026-06-24 05:36:06,492 - Accelerate Version (metadata): 1.13.0
50
+ 2026-06-24 05:36:06,492 - PtyRAD Version (ptyrad/__init__.py): 1.0.0
51
+ 2026-06-24 05:36:06,492 - PtyRAD is located at: /home/tnguye11/anaconda3/envs/ptyrad/lib/python3.12/site-packages/ptyrad/__init__.py
52
+ 2026-06-24 05:36:06,492 -
53
+ 2026-06-24 05:36:06,492 - ### Loading params file ###
54
+ 2026-06-24 05:36:06,492 - params_path = /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/params/c30_small/simulation_data1__sample_000008.yaml
55
+ 2026-06-24 05:36:06,499 - validate = True: Filling defaults and validating the params file...
56
+ 2026-06-24 05:36:06,500 - Success! Params file validated and defaults applied.
57
+ 2026-06-24 05:36:06,500 -
58
+ 2026-06-24 05:36:06,500 - ### Setting GPU Device ###
59
+ 2026-06-24 05:36:06,500 - Selected GPU device: cuda:0 (NVIDIA A100 80GB PCIe)
60
+ 2026-06-24 05:36:06,500 -
61
+ 2026-06-24 05:36:06,500 - Random seed: 20261852 provided by params file
62
+ 2026-06-24 05:36:06,500 - ### Initializing Initializer ###
63
+ 2026-06-24 05:36:06,501 - init_params are displayed below:
64
+ 2026-06-24 05:36:06,501 - random_seed: 20261852
65
+ 2026-06-24 05:36:06,501 - probe_illum_type: electron
66
+ 2026-06-24 05:36:06,501 - probe_kv: 300.0
67
+ 2026-06-24 05:36:06,501 - probe_conv_angle: 12.933050155639648
68
+ 2026-06-24 05:36:06,501 - probe_aberrations: {'C10': -307.544, 'C12': -23.624, 'phi12': 165.476, 'C21': 867.661, 'phi21': 90.944, 'C23': -871.995, 'phi23': 355.572, 'C30': -897010.875, 'C32': 5510.824, 'phi32': 174.58, 'C34': -10106.436, 'phi34': 300.845, 'C41': 422961.812, 'phi41': 233.117, 'C43': -401591.344, 'phi43': 264.827, 'C45': -308371.031, 'phi45': 279.55, 'C50': -448757952.0, 'C52': -18148220.0, 'phi52': 207.609, 'C54': -12083272.0, 'phi54': 49.521, 'C56': 15654723.0, 'phi56': 343.861}
69
+ 2026-06-24 05:36:06,501 - beam_kev: None
70
+ 2026-06-24 05:36:06,501 - probe_dRn: None
71
+ 2026-06-24 05:36:06,501 - probe_Rn: None
72
+ 2026-06-24 05:36:06,501 - probe_D_H: None
73
+ 2026-06-24 05:36:06,501 - probe_D_FZP: None
74
+ 2026-06-24 05:36:06,501 - probe_Ls: None
75
+ 2026-06-24 05:36:06,501 - meas_Npix: 128
76
+ 2026-06-24 05:36:06,501 - pos_N_scans: 256
77
+ 2026-06-24 05:36:06,501 - pos_N_scan_slow: 16
78
+ 2026-06-24 05:36:06,501 - pos_N_scan_fast: 16
79
+ 2026-06-24 05:36:06,501 - pos_scan_step_size: 0.4713726341724396
80
+ 2026-06-24 05:36:06,501 - meas_calibration: {'mode': 'kMax', 'value': 2.5}
81
+ 2026-06-24 05:36:06,501 - probe_pmode_max: 6
82
+ 2026-06-24 05:36:06,501 - probe_pmode_init_pows: [0.02]
83
+ 2026-06-24 05:36:06,501 - obj_omode_max: 1
84
+ 2026-06-24 05:36:06,501 - obj_omode_init_occu: {'occu_type': 'uniform', 'init_occu': None}
85
+ 2026-06-24 05:36:06,501 - obj_Nlayer: 1
86
+ 2026-06-24 05:36:06,501 - obj_slice_thickness: 20.0
87
+ 2026-06-24 05:36:06,501 - simu_Npix: None
88
+ 2026-06-24 05:36:06,501 - simu_match_mode: None
89
+ 2026-06-24 05:36:06,501 - meas_permute: None
90
+ 2026-06-24 05:36:06,501 - meas_reshape: [256, 128, 128]
91
+ 2026-06-24 05:36:06,501 - meas_flipT: [0, 0, 0]
92
+ 2026-06-24 05:36:06,501 - meas_crop: None
93
+ 2026-06-24 05:36:06,501 - meas_pad: None
94
+ 2026-06-24 05:36:06,501 - meas_resample: None
95
+ 2026-06-24 05:36:06,501 - meas_add_source_size: None
96
+ 2026-06-24 05:36:06,501 - meas_add_detector_blur: None
97
+ 2026-06-24 05:36:06,501 - meas_remove_neg_values: {'mode': 'clip_neg', 'value': None, 'force': False}
98
+ 2026-06-24 05:36:06,502 - meas_normalization: {'mode': 'max_at_one', 'value': None}
99
+ 2026-06-24 05:36:06,502 - meas_add_poisson_noise: None
100
+ 2026-06-24 05:36:06,502 - meas_export: None
101
+ 2026-06-24 05:36:06,502 - probe_permute: None
102
+ 2026-06-24 05:36:06,502 - probe_z_shift: None
103
+ 2026-06-24 05:36:06,502 - probe_normalization: {'mode': 'mean_total_ints', 'value': None}
104
+ 2026-06-24 05:36:06,502 - pos_scan_flipT: None
105
+ 2026-06-24 05:36:06,502 - pos_scan_affine: None
106
+ 2026-06-24 05:36:06,502 - pos_scan_rand_std: 0.15
107
+ 2026-06-24 05:36:06,502 - obj_z_crop: None
108
+ 2026-06-24 05:36:06,502 - obj_z_pad: None
109
+ 2026-06-24 05:36:06,502 - obj_z_resample: None
110
+ 2026-06-24 05:36:06,502 - meas_source: file
111
+ 2026-06-24 05:36:06,502 - meas_params: {'path': '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000008_measurement.h5', 'key': 'measurement', 'shape': None, 'offset': None, 'gap': None, 'selection': None, 'zarr_kwargs': None}
112
+ 2026-06-24 05:36:06,502 - probe_source: simu
113
+ 2026-06-24 05:36:06,502 - probe_params: None
114
+ 2026-06-24 05:36:06,502 - pos_source: simu
115
+ 2026-06-24 05:36:06,502 - pos_params: None
116
+ 2026-06-24 05:36:06,502 - obj_source: simu
117
+ 2026-06-24 05:36:06,502 - obj_params: None
118
+ 2026-06-24 05:36:06,502 - tilt_source: simu
119
+ 2026-06-24 05:36:06,502 - tilt_params: {'tilt_type': 'all', 'init_tilts': [[0, 0]]}
120
+ 2026-06-24 05:36:06,502 -
121
+ 2026-06-24 05:36:06,502 - ### Initializing cache ###
122
+ 2026-06-24 05:36:06,502 - use_cached_obj = False
123
+ 2026-06-24 05:36:06,502 - use_cached_probe = False
124
+ 2026-06-24 05:36:06,502 - use_cached_pos = False
125
+ 2026-06-24 05:36:06,502 -
126
+ 2026-06-24 05:36:06,502 - ### Initializing measurements ###
127
+ 2026-06-24 05:36:06,502 - Loading measurements from source = 'file'
128
+ 2026-06-24 05:36:06,502 - Detected measurement file type = '.h5'
129
+ 2026-06-24 05:36:06,581 - Original measurements dtype is float32, casting to float32 (single precision) for computational efficiency.
130
+ 2026-06-24 05:36:06,581 - Imported meausrements shape / dtype = (16, 16, 128, 128), dtype = float32
131
+ 2026-06-24 05:36:06,583 - Imported meausrements int. statistics (min, mean, max) = (0.0000, 0.0001, 0.0017)
132
+ 2026-06-24 05:36:06,583 - Reshaping measurements to shape = [256, 128, 128]
133
+ 2026-06-24 05:36:06,583 - Flipping measurements with [flipud, fliplr, transpose] = [0, 0, 0]
134
+ 2026-06-24 05:36:06,584 - No negative values found in measurements. Skipping non-neg correction.
135
+ 2026-06-24 05:36:06,584 - Normalizing measurements with mode = 'max_at_one' and value = 'None'
136
+ 2026-06-24 05:36:06,585 - Normalizing by max of the 2D mean pattern intensity: 0.0010798314
137
+ 2026-06-24 05:36:06,585 - meausrements shape / dtype = (256, 128, 128), dtype = float32
138
+ 2026-06-24 05:36:06,587 - meausrements int. statistics (min, mean, max) = (0.0000, 0.0563, 1.5565)
139
+ 2026-06-24 05:36:06,587 - No negative values found in measurements. Skipping non-neg correction.
140
+ 2026-06-24 05:36:06,589 - Pattern total int. statistics (min, mean, max) = (912.6027, 921.7542, 928.0841), with min/max = 98.3%
141
+ 2026-06-24 05:36:06,590 - Global meausrements int. statistics (min, mean, max) = (0.0000, 0.0563, 1.5565)
142
+ 2026-06-24 05:36:06,590 - measurements (N, Ky, Kx) = float32, (256, 128, 128)
143
+ 2026-06-24 05:36:06,590 -
144
+ 2026-06-24 05:36:06,590 - ### Setting up calibration ###
145
+ 2026-06-24 05:36:06,590 - meas_calibration mode = 'kMax', value = 2.5
146
+ 2026-06-24 05:36:06,590 - Using loaded raw averaged measurement (before crop/pad/resample) to fit RBF as a part of the meas calibration
147
+ 2026-06-24 05:36:06,590 - Radius of fitted bright field disk (RBF) = 16.69 px with meas_Npix = 128
148
+ 2026-06-24 05:36:06,590 - Suggested probe_mask_k radius (RBF*2/Npix) > 0.2608
149
+ 2026-06-24 05:36:06,590 - Fitting raw averaged measurement with center, radius, and Gaussian blur std as a sanity check
150
+ 2026-06-24 05:36:06,590 - Note that the fitted Gaussian blur std (detector blur) would be affected by overlapping Bragg disks
151
+ 2026-06-24 05:36:06,811 - Initial guess: center=(63.61, 63.62), radius=16.69, Gaussian blur std=0.50
152
+ 2026-06-24 05:36:06,826 - Final fit: center=(63.61, 63.62), radius=16.69, Gaussian blur std=0.76
153
+ 2026-06-24 05:36:06,826 - Using init_params, the inferred RBF (conv_angle / 1e3 * Npix * dx / wavelength) = 16.82 px with Npix = 128
154
+ 2026-06-24 05:36:06,826 - dx (real space pixel size of probe and object) set to 0.2000 Ang with Npix = 128
155
+ 2026-06-24 05:36:06,826 -
156
+ 2026-06-24 05:36:06,826 - ### Setting init_variables dict ###
157
+ 2026-06-24 05:36:06,826 - Derived values given input init_params:
158
+ 2026-06-24 05:36:06,826 - kv = 300.0 kV
159
+ 2026-06-24 05:36:06,826 - wavelength = 0.0197 Ang
160
+ 2026-06-24 05:36:06,826 - conv_angle = 12.933050155639648 mrad
161
+ 2026-06-24 05:36:06,826 - Npix = 128 px
162
+ 2026-06-24 05:36:06,826 - dk = 0.0391 Ang^-1
163
+ 2026-06-24 05:36:06,826 - kMax = 2.5000 Ang^-1
164
+ 2026-06-24 05:36:06,826 - da = 0.7690 mrad
165
+ 2026-06-24 05:36:06,826 - angleMax = 49.2187 mrad
166
+ 2026-06-24 05:36:06,826 - RBF = 16.8171 px (Inferred from the given calibration, NOT necessarily from the loaded measurement data)
167
+ 2026-06-24 05:36:06,826 - n_alpha = 3.8057 (# conv_angle)
168
+ 2026-06-24 05:36:06,826 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
169
+ 2026-06-24 05:36:06,826 - Rayleigh-limited resolution = 0.9286 Ang (0.61*lambda/alpha for focused probe )
170
+ 2026-06-24 05:36:06,826 - Real space probe extent = 25.6000 Ang
171
+ 2026-06-24 05:36:06,826 -
172
+ 2026-06-24 05:36:06,826 - ### Initializing probe ###
173
+ 2026-06-24 05:36:06,827 - Loading probe from source = 'simu'
174
+ 2026-06-24 05:36:06,827 - Using experimental parameters specified by 'init_params' for initial probe simulation.
175
+ 2026-06-24 05:36:06,827 - Start simulating STEM probe
176
+ 2026-06-24 05:36:06,827 - kv = 300.0 kV
177
+ 2026-06-24 05:36:06,827 - wavelength = 0.0197 Ang
178
+ 2026-06-24 05:36:06,827 - conv_angle = 12.933050155639648 mrad
179
+ 2026-06-24 05:36:06,827 - Npix = 128 px
180
+ 2026-06-24 05:36:06,827 - dk = 0.0391 Ang^-1
181
+ 2026-06-24 05:36:06,827 - kMax = 2.5000 Ang^-1
182
+ 2026-06-24 05:36:06,827 - alpha_max = 49.2187 mrad
183
+ 2026-06-24 05:36:06,827 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
184
+ 2026-06-24 05:36:06,827 - Rayleigh-limited resolution = 0.9286 Ang (0.61*lambda/alpha for focused probe )
185
+ 2026-06-24 05:36:06,827 - Real space probe extent = 25.6000 Ang
186
+ 2026-06-24 05:36:06,827 - Krivanek Haider Magnitude Angle (°) Description
187
+ 2026-06-24 05:36:06,827 - -------------------------------------------------------------------------------------
188
+ 2026-06-24 05:36:06,827 - C1,0 C1 -307.5440 - Defocus (C10 = -df)
189
+ 2026-06-24 05:36:06,827 - C1,2 A1 -23.6240 165.48 2-fold astigmatism
190
+ 2026-06-24 05:36:06,827 - C2,1 3*B2 867.6610 90.94 Axial coma
191
+ 2026-06-24 05:36:06,827 - C2,3 A2 -871.9950 355.57 3-fold astigmatism
192
+ 2026-06-24 05:36:06,827 - C3,0 C3 -897010.8750 - Spherical aberration
193
+ 2026-06-24 05:36:06,827 - C3,2 4*S3 5510.8240 174.58 Axial star aberration
194
+ 2026-06-24 05:36:06,827 - C3,4 A3 -10106.4360 300.85 4-fold astigmatism
195
+ 2026-06-24 05:36:06,827 - C4,1 4*B4 422961.8120 233.12 Axial coma(4th)
196
+ 2026-06-24 05:36:06,827 - C4,3 4*D4 -401591.3440 264.83 3-lobe aberration
197
+ 2026-06-24 05:36:06,827 - C4,5 A4 -308371.0310 279.55 5-fold astigmatism
198
+ 2026-06-24 05:36:06,828 - C5,0 C5 -448757952.0000 - Spherical aberration (5th)
199
+ 2026-06-24 05:36:06,828 - C5,2 6*S5 -18148220.0000 207.61 Axial star aberration(5th)
200
+ 2026-06-24 05:36:06,828 - C5,4 6*R5 -12083272.0000 49.52 4-lobe aberration
201
+ 2026-06-24 05:36:06,828 - C5,6 A5 15654723.0000 343.86 6-fold astigmatism
202
+ 2026-06-24 05:36:06,830 - Loaded probe shape = (1, 128, 128), dtype = complex128
203
+ 2026-06-24 05:36:06,830 - pmode_now: 1 and pmode_max: 6, padding the pmode.
204
+ 2026-06-24 05:36:06,831 - Creating 5 new probe modes from the major mode
205
+ 2026-06-24 05:36:06,831 - Start making mixed-state STEM probe with 6 incoherent probe modes
206
+ 2026-06-24 05:36:07,066 - Relative power of probe modes = [0.9 0.02 0.02 0.02 0.02 0.02]
207
+ 2026-06-24 05:36:07,067 - Orthogonalizing 6 pmodes
208
+ 2026-06-24 05:36:07,080 - Sorting 6 pmodes by their intensities
209
+ 2026-06-24 05:36:07,080 - Normalizing probe intensity with mode = 'mean_total_ints' and value = 'None'
210
+ 2026-06-24 05:36:07,081 - sum(|probe_data|**2) = 921.75, while meas_total_ints (min, mean, max) = (912.6027, 921.7542, 928.0841)
211
+ 2026-06-24 05:36:07,081 - probe (pmode, Ny, Nx) = complex64, (6, 128, 128)
212
+ 2026-06-24 05:36:07,081 -
213
+ 2026-06-24 05:36:07,081 - ### Initializing probe positions ###
214
+ 2026-06-24 05:36:07,081 - Loading probe positions from source = 'simu'
215
+ 2026-06-24 05:36:07,081 - Using experimental parameters specified by 'init_params' (dx, scan_step size, N_scan_slow, N_scan_fast) for initial position simulation.
216
+ 2026-06-24 05:36:07,081 - Simulating probe positions with dx = 0.2000, scan_step_size = 0.4714, N_scan_fast = 16, N_scan_slow = 16
217
+ 2026-06-24 05:36:07,081 - Applying Gaussian distributed random displacement with std = 0.15 px to scan positions
218
+ 2026-06-24 05:36:07,083 - crop_pos (N,2) = int16, (256, 2)
219
+ 2026-06-24 05:36:07,083 - crop_pos 1st and last px coords (y,x) = ([17, 16], [51, 52])
220
+ 2026-06-24 05:36:07,084 - crop_pos extent (Ang) = [7.2 7.2]
221
+ 2026-06-24 05:36:07,084 - probe_pos_shifts (N,2) = float32, (256, 2)
222
+ 2026-06-24 05:36:07,084 -
223
+ 2026-06-24 05:36:07,084 - ### Initializing object ###
224
+ 2026-06-24 05:36:07,084 - Loading object from source = 'simu'
225
+ 2026-06-24 05:36:07,084 - Using experimental parameters specified by 'init_params' for initial object simulation.
226
+ 2026-06-24 05:36:07,085 - omode_now: 1 and omode_max: 1, leaving the omode unchanged.
227
+ 2026-06-24 05:36:07,085 - object (omode, Nz, Ny, Nx) = complex64, (1, 1, 196, 196)
228
+ 2026-06-24 05:36:07,085 - object extent (Z, Y, X) (Ang) = [20. 39.2 39.2]
229
+ 2026-06-24 05:36:07,086 -
230
+ 2026-06-24 05:36:07,086 - ### Initializing omode_occu from 'uniform' ###
231
+ 2026-06-24 05:36:07,086 - omode_occu (omode) = float32, (1,)
232
+ 2026-06-24 05:36:07,086 -
233
+ 2026-06-24 05:36:07,086 - ### Initializing H (Fresnel propagator) ###
234
+ 2026-06-24 05:36:07,086 - Calculating H with probe_shape = (128, 128) px, dx = 0.2000 Ang, slice_thickness = 20.0000 Ang, lambd = 0.0197 Ang
235
+ 2026-06-24 05:36:07,086 - H (Ky, Kx) = complex64, (128, 128)
236
+ 2026-06-24 05:36:07,086 -
237
+ 2026-06-24 05:36:07,086 - ### Initializing obj tilts from = 'simu' ###
238
+ 2026-06-24 05:36:07,086 - Initialized obj_tilts with init_tilts = [[0, 0]] (theta_y, theta_x) mrad
239
+ 2026-06-24 05:36:07,087 - obj_tilts (N, 2) = float32, (1, 2)
240
+ 2026-06-24 05:36:07,087 -
241
+ 2026-06-24 05:36:07,087 - ### Checking consistency between input params with the initialized variables ###
242
+ 2026-06-24 05:36:07,087 - meas_Npix, simu_Npix, DP measurements, probe, and H shapes are consistent as '128'
243
+ 2026-06-24 05:36:07,087 - N_scans, len(meas), N_scan_slow*N_scan_fast, len(crop_pos), and len(probe_pos_shifts) are consistent as '256'
244
+ 2026-06-24 05:36:07,087 - obj.shape[0] is consistent with len(omode_occu) as '1'
245
+ 2026-06-24 05:36:07,087 - obj.shape[1] is consistent with Nlayer as '1'
246
+ 2026-06-24 05:36:07,087 - crop positions (yx_min=[16 16], yx_max=[180 180]) are well contained inside object canvas (Ny,Nx) = (196, 196).
247
+ 2026-06-24 05:36:07,087 - obj_tilts is consistent with either 1 or N_scans
248
+ 2026-06-24 05:36:07,087 - Pass the consistency check of initialized variables, initialization is done!
249
+ 2026-06-24 05:36:07,087 -
250
+ 2026-06-24 05:36:07,087 - ### Collecting reconstruction provenance ###
251
+ 2026-06-24 05:36:07,087 - Reconstruction provenance is collected and initialized.
252
+ 2026-06-24 05:36:07,087 -
253
+ 2026-06-24 05:36:07,087 - ### Initializing loss function ###
254
+ 2026-06-24 05:36:07,087 - Active loss types:
255
+ 2026-06-24 05:36:07,087 - loss_single : {'state': True, 'weight': 1.0, 'dp_pow': 0.5}
256
+ 2026-06-24 05:36:07,087 -
257
+ 2026-06-24 05:36:07,087 - ### Initializing constraint function ###
258
+ 2026-06-24 05:36:07,087 - Active constraint types:
259
+ 2026-06-24 05:36:07,087 - ortho_pmode : {'start_iter': 1, 'step': 1, 'end_iter': None}
260
+ 2026-06-24 05:36:07,087 - fix_probe_int : {'start_iter': 1, 'step': 1, 'end_iter': None}
261
+ 2026-06-24 05:36:07,088 - obj_zblur : {'start_iter': 1, 'step': 1, 'end_iter': None, 'obj_type': 'both', 'kernel_size': 5, 'std': 1.0}
262
+ 2026-06-24 05:36:07,088 - obja_thresh : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0, 'thresh': [0.96, 1.04]}
263
+ 2026-06-24 05:36:07,088 - pos_recenter : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0}
264
+ 2026-06-24 05:36:07,088 -
265
+ 2026-06-24 05:36:07,088 - ### Done initializing PtyRADSolver ###
266
+ 2026-06-24 05:36:07,088 -
267
+ 2026-06-24 05:36:07,212 - ### Starting the PtyRADSolver in reconstruct mode ###
268
+ 2026-06-24 05:36:07,212 -
269
+ 2026-06-24 05:36:07,212 - ### Initializing PtychoModel model ###
270
+ 2026-06-24 05:36:07,284 - ### PtychoModel optimizable variables ###
271
+ 2026-06-24 05:36:07,284 - obja : torch.Size([1, 1, 196, 196]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
272
+ 2026-06-24 05:36:07,284 - objp : torch.Size([1, 1, 196, 196]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
273
+ 2026-06-24 05:36:07,284 - obj_tilts : torch.Size([1, 2]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
274
+ 2026-06-24 05:36:07,285 - slice_thickness : torch.Size([]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
275
+ 2026-06-24 05:36:07,285 - probe : torch.Size([6, 128, 128, 2]) , torch.float32 , device:cuda:0, grad:True , lr:1e-04
276
+ 2026-06-24 05:36:07,285 - probe_pos_shifts: torch.Size([256, 2]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
277
+ 2026-06-24 05:36:07,285 -
278
+ 2026-06-24 05:36:07,285 - ### Optimizable variables statitsics ###
279
+ 2026-06-24 05:36:07,285 - Total measurement values : 4,194,304
280
+ 2026-06-24 05:36:07,285 - Total optimizing variables: 273,952
281
+ 2026-06-24 05:36:07,285 - Overdetermined ratio : 15.31
282
+ 2026-06-24 05:36:07,285 -
283
+ 2026-06-24 05:36:07,285 - ### Model behavior ###
284
+ 2026-06-24 05:36:07,285 - Tilt propagator : False
285
+ 2026-06-24 05:36:07,285 - Change slice thickness : False
286
+ 2026-06-24 05:36:07,285 - Detector blur : False
287
+ 2026-06-24 05:36:07,285 - Preload data : True
288
+ 2026-06-24 05:36:07,285 - On-the-fly meas padding : False
289
+ 2026-06-24 05:36:07,285 - On-the-fly meas resample : False
290
+ 2026-06-24 05:36:07,285 - On-the-fly simu match mode: None
291
+ 2026-06-24 05:36:07,285 -
292
+ 2026-06-24 05:36:07,326 - ### Done initializing PtychoModel model ###
293
+ 2026-06-24 05:36:07,327 -
294
+ 2026-06-24 05:36:07,327 - ### Creating PyTorch 'Adam' optimizer with configs = {} ###
295
+ 2026-06-24 05:36:07,327 -
296
+ 2026-06-24 05:36:07,327 - ### Generating indices, batches, and output_path ###
297
+ 2026-06-24 05:36:07,328 - d90 = 57.000 px or 11.400 Ang
298
+ 2026-06-24 05:36:07,328 - Selecting indices with the 'full' mode
299
+ 2026-06-24 05:36:07,793 - Generated 8 'random' groups of ~32 scan positions in 0.000 sec
300
+ 2026-06-24 05:36:07,868 - The effective batch size (i.e., how many probe positions are simultaneously used for 1 update of ptychographic parameters) is batch_size * grad_accumulation = 32 * 1 = 32
301
+ 2026-06-24 05:36:07,869 - Original recon_dir_affixes = ['default']
302
+ 2026-06-24 05:36:07,869 - Expanded recon_dir_affixes = ['indices', 'meas', 'batch', 'pmode', 'omode', 'nlayer', 'lr', 'model', 'constraint', 'loss', 'affine', 'tilt', 'aberrations']
303
+ 2026-06-24 05:36:07,874 - Path corrected for compatibility:
304
+ 2026-06-24 05:36:07,874 - Original: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_5.51e+03_phi32_175_C34_-1.01e+04_phi34_301_C41_4.23e+05_phi41_233_C43_-4.02e+05_phi43_265_C45_-3.08e+05_phi45_280_C50_-4.49e+08_C52_-1.81e+07_phi52_208_C54_-1.21e+07_phi54_49.5_C56_1.57e+07_phi56_344
305
+ 2026-06-24 05:36:07,874 - Corrected: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344
306
+ 2026-06-24 05:36:07,875 - output_path = '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344' is generated!
307
+ 2026-06-24 05:36:08,031 -
308
+ 2026-06-24 05:36:08,032 - ### Log file is flushed (created) as /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344/20260624_053608_ptyrad_log.txt ###
309
+ 2026-06-24 05:36:08,032 -
310
+ 2026-06-24 05:36:08,033 - ### Creating ConvergenceMonitor with {'tensors': ['obja', 'objp', 'probe', 'probe_pos_shifts'], 'every_n_iters': None, 'percentile_range': [15.0, 85.0]} ###
311
+ 2026-06-24 05:36:08,034 - ### Start the PtyRAD iterative ptycho reconstruction ###
312
+ 2026-06-24 05:36:08,034 - Setting up PyTorch compiler with {'fullgraph': False, 'dynamic': None, 'backend': 'inductor', 'mode': 'default', 'options': None, 'disable': True}
313
+ 2026-06-24 05:36:09,227 - Iter: 1, Total Loss: 0.7269, loss_single: 0.7269, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.434 sec
314
+ 2026-06-24 05:36:09,264 - Iter: 2, Total Loss: 0.7053, loss_single: 0.7053, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
315
+ 2026-06-24 05:36:09,300 - Iter: 3, Total Loss: 0.6886, loss_single: 0.6886, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
316
+ 2026-06-24 05:36:09,335 - Iter: 4, Total Loss: 0.6742, loss_single: 0.6742, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
317
+ 2026-06-24 05:36:09,370 - Iter: 5, Total Loss: 0.6580, loss_single: 0.6580, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
318
+ 2026-06-24 05:36:09,406 - Iter: 6, Total Loss: 0.6436, loss_single: 0.6436, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
319
+ 2026-06-24 05:36:09,441 - Iter: 7, Total Loss: 0.6307, loss_single: 0.6307, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
320
+ 2026-06-24 05:36:09,476 - Iter: 8, Total Loss: 0.6167, loss_single: 0.6167, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
321
+ 2026-06-24 05:36:09,512 - Iter: 9, Total Loss: 0.6013, loss_single: 0.6013, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
322
+ 2026-06-24 05:36:09,547 - Iter: 10, Total Loss: 0.5865, loss_single: 0.5865, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
323
+ 2026-06-24 05:36:09,582 - Iter: 11, Total Loss: 0.5721, loss_single: 0.5721, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
324
+ 2026-06-24 05:36:09,617 - Iter: 12, Total Loss: 0.5578, loss_single: 0.5578, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
325
+ 2026-06-24 05:36:09,653 - Iter: 13, Total Loss: 0.5437, loss_single: 0.5437, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
326
+ 2026-06-24 05:36:09,688 - Iter: 14, Total Loss: 0.5305, loss_single: 0.5305, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
327
+ 2026-06-24 05:36:09,723 - Iter: 15, Total Loss: 0.5167, loss_single: 0.5167, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
328
+ 2026-06-24 05:36:09,758 - Iter: 16, Total Loss: 0.5012, loss_single: 0.5012, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
329
+ 2026-06-24 05:36:09,793 - Iter: 17, Total Loss: 0.4881, loss_single: 0.4881, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
330
+ 2026-06-24 05:36:09,829 - Iter: 18, Total Loss: 0.4770, loss_single: 0.4770, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
331
+ 2026-06-24 05:36:09,864 - Iter: 19, Total Loss: 0.4659, loss_single: 0.4659, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
332
+ 2026-06-24 05:36:09,899 - Iter: 20, Total Loss: 0.4557, loss_single: 0.4557, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
333
+ 2026-06-24 05:36:09,934 - Iter: 21, Total Loss: 0.4458, loss_single: 0.4458, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
334
+ 2026-06-24 05:36:09,970 - Iter: 22, Total Loss: 0.4368, loss_single: 0.4368, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
335
+ 2026-06-24 05:36:10,009 - Iter: 23, Total Loss: 0.4289, loss_single: 0.4289, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.039 sec
336
+ 2026-06-24 05:36:10,044 - Iter: 24, Total Loss: 0.4185, loss_single: 0.4185, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
337
+ 2026-06-24 05:36:10,079 - Iter: 25, Total Loss: 0.4059, loss_single: 0.4059, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
338
+ 2026-06-24 05:36:10,115 - Iter: 26, Total Loss: 0.3938, loss_single: 0.3938, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,150 - Iter: 27, Total Loss: 0.3828, loss_single: 0.3828, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,186 - Iter: 28, Total Loss: 0.3735, loss_single: 0.3735, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,221 - Iter: 29, Total Loss: 0.3649, loss_single: 0.3649, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,256 - Iter: 30, Total Loss: 0.3562, loss_single: 0.3562, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,291 - Iter: 31, Total Loss: 0.3485, loss_single: 0.3485, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:10,326 - Iter: 32, Total Loss: 0.3415, loss_single: 0.3415, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,361 - Iter: 33, Total Loss: 0.3345, loss_single: 0.3345, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,397 - Iter: 34, Total Loss: 0.3284, loss_single: 0.3284, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,432 - Iter: 35, Total Loss: 0.3226, loss_single: 0.3226, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,467 - Iter: 36, Total Loss: 0.3146, loss_single: 0.3146, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,502 - Iter: 37, Total Loss: 0.3078, loss_single: 0.3078, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,537 - Iter: 38, Total Loss: 0.3022, loss_single: 0.3022, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,572 - Iter: 39, Total Loss: 0.2955, loss_single: 0.2955, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,608 - Iter: 40, Total Loss: 0.2891, loss_single: 0.2891, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,646 - Iter: 41, Total Loss: 0.2851, loss_single: 0.2851, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,682 - Iter: 42, Total Loss: 0.2826, loss_single: 0.2826, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,718 - Iter: 43, Total Loss: 0.2785, loss_single: 0.2785, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:36:10,761 - Iter: 44, Total Loss: 0.2741, loss_single: 0.2741, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,796 - Iter: 45, Total Loss: 0.2703, loss_single: 0.2703, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,832 - Iter: 46, Total Loss: 0.2667, loss_single: 0.2667, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:36:10,867 - Iter: 47, Total Loss: 0.2644, loss_single: 0.2644, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,902 - Iter: 48, Total Loss: 0.2622, loss_single: 0.2622, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,938 - Iter: 49, Total Loss: 0.2601, loss_single: 0.2601, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:10,973 - Iter: 50, Total Loss: 0.2583, loss_single: 0.2583, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,008 - Iter: 51, Total Loss: 0.2559, loss_single: 0.2559, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,044 - Iter: 52, Total Loss: 0.2542, loss_single: 0.2542, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,079 - Iter: 53, Total Loss: 0.2520, loss_single: 0.2520, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,115 - Iter: 54, Total Loss: 0.2497, loss_single: 0.2497, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,150 - Iter: 55, Total Loss: 0.2475, loss_single: 0.2475, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,185 - Iter: 56, Total Loss: 0.2457, loss_single: 0.2457, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,221 - Iter: 57, Total Loss: 0.2442, loss_single: 0.2442, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,256 - Iter: 58, Total Loss: 0.2424, loss_single: 0.2424, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,292 - Iter: 59, Total Loss: 0.2403, loss_single: 0.2403, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,327 - Iter: 60, Total Loss: 0.2389, loss_single: 0.2389, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,362 - Iter: 61, Total Loss: 0.2378, loss_single: 0.2378, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:11,397 - Iter: 62, Total Loss: 0.2365, loss_single: 0.2365, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,432 - Iter: 63, Total Loss: 0.2353, loss_single: 0.2353, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,467 - Iter: 64, Total Loss: 0.2343, loss_single: 0.2343, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,503 - Iter: 65, Total Loss: 0.2332, loss_single: 0.2332, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,538 - Iter: 66, Total Loss: 0.2319, loss_single: 0.2319, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,573 - Iter: 67, Total Loss: 0.2307, loss_single: 0.2307, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,609 - Iter: 68, Total Loss: 0.2299, loss_single: 0.2299, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,644 - Iter: 69, Total Loss: 0.2290, loss_single: 0.2290, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,679 - Iter: 70, Total Loss: 0.2282, loss_single: 0.2282, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,715 - Iter: 71, Total Loss: 0.2274, loss_single: 0.2274, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,750 - Iter: 72, Total Loss: 0.2268, loss_single: 0.2268, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,785 - Iter: 73, Total Loss: 0.2262, loss_single: 0.2262, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,821 - Iter: 74, Total Loss: 0.2257, loss_single: 0.2257, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,856 - Iter: 75, Total Loss: 0.2251, loss_single: 0.2251, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,891 - Iter: 76, Total Loss: 0.2247, loss_single: 0.2247, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,926 - Iter: 77, Total Loss: 0.2242, loss_single: 0.2242, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,961 - Iter: 78, Total Loss: 0.2238, loss_single: 0.2238, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:11,996 - Iter: 79, Total Loss: 0.2235, loss_single: 0.2235, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,031 - Iter: 80, Total Loss: 0.2231, loss_single: 0.2231, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,066 - Iter: 81, Total Loss: 0.2228, loss_single: 0.2228, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:12,101 - Iter: 82, Total Loss: 0.2225, loss_single: 0.2225, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,136 - Iter: 83, Total Loss: 0.2222, loss_single: 0.2222, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,172 - Iter: 84, Total Loss: 0.2219, loss_single: 0.2219, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,207 - Iter: 85, Total Loss: 0.2217, loss_single: 0.2217, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,243 - Iter: 86, Total Loss: 0.2215, loss_single: 0.2215, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,277 - Iter: 87, Total Loss: 0.2213, loss_single: 0.2213, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:12,313 - Iter: 88, Total Loss: 0.2211, loss_single: 0.2211, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,348 - Iter: 89, Total Loss: 0.2209, loss_single: 0.2209, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,383 - Iter: 90, Total Loss: 0.2207, loss_single: 0.2207, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,420 - Iter: 91, Total Loss: 0.2206, loss_single: 0.2206, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
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+ 2026-06-24 05:36:12,456 - Iter: 92, Total Loss: 0.2204, loss_single: 0.2204, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,491 - Iter: 93, Total Loss: 0.2203, loss_single: 0.2203, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,526 - Iter: 94, Total Loss: 0.2202, loss_single: 0.2202, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,561 - Iter: 95, Total Loss: 0.2200, loss_single: 0.2200, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,596 - Iter: 96, Total Loss: 0.2199, loss_single: 0.2199, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,631 - Iter: 97, Total Loss: 0.2198, loss_single: 0.2198, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,667 - Iter: 98, Total Loss: 0.2197, loss_single: 0.2197, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,702 - Iter: 99, Total Loss: 0.2196, loss_single: 0.2196, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,737 - Iter: 100, Total Loss: 0.2196, loss_single: 0.2196, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:12,850 - Saving summary figures for iter 100
414
+ 2026-06-24 05:36:16,637 - ### Finished 100 iterations, averaged iter_t = 0.038919 with std = 0.040 ###
415
+ 2026-06-24 05:36:16,638 -
416
+ 2026-06-24 05:36:16,638 - ### The PtyRADSolver is finished in 9.426 sec ###
417
+ 2026-06-24 05:36:16,638 -
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344/objp_crop_08bit_iter0100.tif ADDED
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008/c30_small__simulation_data1__sample_000008_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-308_C12_-23.6_phi12_165_C21_868_phi21_90.9_C23_-872_phi23_356_C30_-8.97e+05_C32_.57e+07_phi56_344/simulation_data1__sample_000008.yaml ADDED
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+ C52: -18148220.0
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+ C54: -12083272.0
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+ C56: 15654723.0
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+ phi12: 165.47571702195094
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+ phi21: 90.94372974209882
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+ phi23: 355.5720803412634
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+ phi32: 174.58019526103786
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+ phi34: 300.8448617674561
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+ phi41: 233.1174982595534
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+ phi45: 279.5500531430272
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+ phi52: 207.60881808706347
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+ phi54: 49.52084540726258
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+ phi56: 343.8609833488462
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+ meas_Npix: 128
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+ pos_N_scan_slow: 16
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+ probe_pmode_max: 6
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+ meas_permute: null
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+ - 128
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+ meas_params:
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+ path: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000008_measurement.h5
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+ key: measurement
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+ random_seed: 20261852
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+ obj_omode_max: 1
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+ mode: kMax
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+ value: 2.5
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+ model_params:
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+ update_params:
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+ obja:
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+ lr: 0.0005
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+ end_iter: null
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+ objp:
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+ lr: 0.0005
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+ end_iter: null
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+ probe:
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+ start_iter: 1
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+ lr: 0.0001
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+ probe_pos_shifts:
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+ loss_params:
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+ weight: 1.0
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+ eps: 1.0e-06
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+ weight: 0.1
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+ constraint_params:
92
+ ortho_pmode:
93
+ start_iter: 1
94
+ step: 1
95
+ end_iter: null
96
+ fix_probe_int:
97
+ start_iter: 1
98
+ step: 1
99
+ end_iter: null
100
+ obj_rblur:
101
+ start_iter: null
102
+ step: 1
103
+ end_iter: null
104
+ obj_type: both
105
+ kernel_size: 5
106
+ std: 0.4
107
+ obj_zblur:
108
+ start_iter: 1
109
+ step: 1
110
+ end_iter: null
111
+ obj_type: both
112
+ kernel_size: 5
113
+ std: 1
114
+ obja_thresh:
115
+ start_iter: 1
116
+ step: 1
117
+ end_iter: null
118
+ relax: 0
119
+ thresh:
120
+ - 0.96
121
+ - 1.04
122
+ objp_postiv:
123
+ start_iter: null
124
+ step: 1
125
+ end_iter: null
126
+ relax: 0
127
+ recon_params:
128
+ NITER: 100
129
+ BATCH_SIZE:
130
+ size: 32
131
+ grad_accumulation: 1
132
+ SAVE_ITERS: 100
133
+ output_dir: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000008
134
+ recon_dir_affixes:
135
+ - default
136
+ prefix: c30_small__simulation_data1__sample_000008
137
+ postfix: ''
138
+ compiler_configs:
139
+ enable: false
140
+ prefix_time: false
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/20260624_053622_ptyrad_log.txt ADDED
@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2026-06-24 05:36:21,408 - ### PtyRAD LoggingManager configuration ###
2
+ 2026-06-24 05:36:21,408 - log_file = 'ptyrad_log.txt'. If log_file = None, no log file will be created.
3
+ 2026-06-24 05:36:21,408 - log_dir = 'auto'. If log_dir = 'auto', then log will be saved to `output_path` or 'logs/'.
4
+ 2026-06-24 05:36:21,408 - flush_file = True. Automatically set to True if `log_file is not None`
5
+ 2026-06-24 05:36:21,408 - prefix_time = datetime. If true, preset strings ('date', 'time', 'datetime'), or a string of time format, a datetime str is prefixed to the `log_file`.
6
+ 2026-06-24 05:36:21,408 - prefix_jobid = '0'. If not 0, it'll be prefixed to the log file. This is used for hypertune mode with multiple GPUs.
7
+ 2026-06-24 05:36:21,408 - append_to_file = True. If true, logs will be appended to the existing file. If false, the log file will be overwritten.
8
+ 2026-06-24 05:36:21,408 - show_timestamp = True. If true, the printed information will contain a timestamp.
9
+ 2026-06-24 05:36:21,408 -
10
+ 2026-06-24 05:36:21,519 - ### Initializing HuggingFace accelerator ###
11
+ 2026-06-24 05:36:21,519 - Accelerator.distributed_type = DistributedType.NO
12
+ 2026-06-24 05:36:21,519 - Accelerator.num_process = 1
13
+ 2026-06-24 05:36:21,519 - Accelerator.mixed_precision = no
14
+ 2026-06-24 05:36:21,530 - 'accelerate' is available but NOT using distributed mode or mixed precision
15
+ 2026-06-24 05:36:21,530 - If you want to utilize 'accelerate' for multiGPU or mixed precision,
16
+ 2026-06-24 05:36:21,530 - Run `accelerate launch --multi_gpu --num_processes=2 --mixed_precision='no' -m ptyrad run <PTYRAD_ARGUMENTS> --gpuid 'acc'` in your terminal
17
+ 2026-06-24 05:36:21,530 -
18
+ 2026-06-24 05:36:21,530 - ### System information ###
19
+ 2026-06-24 05:36:21,530 - Platform: Linux-4.18.0-553.69.1.el8_10.x86_64-x86_64-with-glibc2.28
20
+ 2026-06-24 05:36:21,530 - Operating System: Linux 4.18.0-553.69.1.el8_10.x86_64
21
+ 2026-06-24 05:36:21,530 - OS Version: #1 SMP Thu Aug 7 18:10:00 EDT 2025
22
+ 2026-06-24 05:36:21,530 - Machine: x86_64
23
+ 2026-06-24 05:36:21,530 - Processor: x86_64
24
+ 2026-06-24 05:36:21,530 - Available CPU cores: 8
25
+ 2026-06-24 05:36:21,530 - SLURM-Allocated Total Memory: 78.12 GB
26
+ 2026-06-24 05:36:21,530 -
27
+ 2026-06-24 05:36:21,530 - ### GPU information ###
28
+ 2026-06-24 05:36:21,530 - CUDA Available: True
29
+ 2026-06-24 05:36:21,530 - CUDA Version: 13.0
30
+ 2026-06-24 05:36:21,531 - Available CUDA GPUs: ['NVIDIA A100 80GB PCIe']
31
+ 2026-06-24 05:36:21,531 - CUDA Compute Capability: ['8.0']
32
+ 2026-06-24 05:36:21,531 - INFO: For torch.compile with Triton, you'll need CUDA GPU with Compute Capability >= 7.0.
33
+ 2026-06-24 05:36:21,531 - In addition, Triton does not directly support Windows.
34
+ 2026-06-24 05:36:21,531 - For Windows users, please follow the instruction and download `triton-windows` from https://github.com/woct0rdho/triton-windows.
35
+ 2026-06-24 05:36:21,547 - MIG (Multi-Instance GPU) mode = False
36
+ 2026-06-24 05:36:21,547 - INFO: MIG splits a physical GPU into multiple GPU slices, but multiGPU does not support these MIG slices.
37
+ 2026-06-24 05:36:21,547 - In addition, multiGPU is currently only available on Linux due to the limited NCCL support.
38
+ 2026-06-24 05:36:21,547 - -> If you're doing normal reconstruction/hypertune, you can safely ignore this.
39
+ 2026-06-24 05:36:21,547 - -> If you want to do multiGPU, you must provide multiple 'full' GPUs that are not in MIG mode.
40
+ 2026-06-24 05:36:21,547 -
41
+ 2026-06-24 05:36:21,547 - ### Python information ###
42
+ 2026-06-24 05:36:21,549 - Python Executable: /home/tnguye11/anaconda3/envs/ptyrad/bin/python3.12
43
+ 2026-06-24 05:36:21,549 - Python Version: 3.12.13 | packaged by Anaconda, Inc. | (main, Mar 19 2026, 20:20:58) [GCC 14.3.0]
44
+ 2026-06-24 05:36:21,549 -
45
+ 2026-06-24 05:36:21,549 - ### Packages information ###
46
+ 2026-06-24 05:36:21,550 - Numpy Version (metadata): 2.4.6
47
+ 2026-06-24 05:36:21,551 - PyTorch Version (metadata): 2.12.0
48
+ 2026-06-24 05:36:21,551 - Optuna Version (metadata): 4.9.0
49
+ 2026-06-24 05:36:21,552 - Accelerate Version (metadata): 1.13.0
50
+ 2026-06-24 05:36:21,552 - PtyRAD Version (ptyrad/__init__.py): 1.0.0
51
+ 2026-06-24 05:36:21,552 - PtyRAD is located at: /home/tnguye11/anaconda3/envs/ptyrad/lib/python3.12/site-packages/ptyrad/__init__.py
52
+ 2026-06-24 05:36:21,552 -
53
+ 2026-06-24 05:36:21,552 - ### Loading params file ###
54
+ 2026-06-24 05:36:21,553 - params_path = /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/params/c30_small/simulation_data1__sample_000009.yaml
55
+ 2026-06-24 05:36:21,559 - validate = True: Filling defaults and validating the params file...
56
+ 2026-06-24 05:36:21,560 - Success! Params file validated and defaults applied.
57
+ 2026-06-24 05:36:21,560 -
58
+ 2026-06-24 05:36:21,560 - ### Setting GPU Device ###
59
+ 2026-06-24 05:36:21,560 - Selected GPU device: cuda:0 (NVIDIA A100 80GB PCIe)
60
+ 2026-06-24 05:36:21,560 -
61
+ 2026-06-24 05:36:21,560 - Random seed: 20261853 provided by params file
62
+ 2026-06-24 05:36:21,561 - ### Initializing Initializer ###
63
+ 2026-06-24 05:36:21,561 - init_params are displayed below:
64
+ 2026-06-24 05:36:21,561 - random_seed: 20261853
65
+ 2026-06-24 05:36:21,561 - probe_illum_type: electron
66
+ 2026-06-24 05:36:21,561 - probe_kv: 300.0
67
+ 2026-06-24 05:36:21,561 - probe_conv_angle: 22.653152465820312
68
+ 2026-06-24 05:36:21,561 - probe_aberrations: {'C10': -266.603, 'C12': 18.172, 'phi12': 229.657, 'C21': 757.701, 'phi21': 298.59, 'C23': 881.624, 'phi23': 3.72, 'C30': 133419.656, 'C32': 9907.309, 'phi32': 59.121, 'C34': -1121.24, 'phi34': 318.911, 'C41': -363432.125, 'phi41': 242.013, 'C43': -177851.125, 'phi43': 339.07, 'C45': 41571.309, 'phi45': 55.737, 'C50': 269112576.0, 'C52': 18410188.0, 'phi52': 311.7, 'C54': 17605530.0, 'phi54': 199.502, 'C56': -788044.688, 'phi56': 333.474}
69
+ 2026-06-24 05:36:21,561 - beam_kev: None
70
+ 2026-06-24 05:36:21,561 - probe_dRn: None
71
+ 2026-06-24 05:36:21,561 - probe_Rn: None
72
+ 2026-06-24 05:36:21,561 - probe_D_H: None
73
+ 2026-06-24 05:36:21,561 - probe_D_FZP: None
74
+ 2026-06-24 05:36:21,561 - probe_Ls: None
75
+ 2026-06-24 05:36:21,561 - meas_Npix: 128
76
+ 2026-06-24 05:36:21,561 - pos_N_scans: 256
77
+ 2026-06-24 05:36:21,561 - pos_N_scan_slow: 16
78
+ 2026-06-24 05:36:21,561 - pos_N_scan_fast: 16
79
+ 2026-06-24 05:36:21,561 - pos_scan_step_size: 0.43370673060417175
80
+ 2026-06-24 05:36:21,561 - meas_calibration: {'mode': 'kMax', 'value': 2.5}
81
+ 2026-06-24 05:36:21,561 - probe_pmode_max: 6
82
+ 2026-06-24 05:36:21,561 - probe_pmode_init_pows: [0.02]
83
+ 2026-06-24 05:36:21,561 - obj_omode_max: 1
84
+ 2026-06-24 05:36:21,561 - obj_omode_init_occu: {'occu_type': 'uniform', 'init_occu': None}
85
+ 2026-06-24 05:36:21,561 - obj_Nlayer: 1
86
+ 2026-06-24 05:36:21,561 - obj_slice_thickness: 20.0
87
+ 2026-06-24 05:36:21,561 - simu_Npix: None
88
+ 2026-06-24 05:36:21,561 - simu_match_mode: None
89
+ 2026-06-24 05:36:21,561 - meas_permute: None
90
+ 2026-06-24 05:36:21,561 - meas_reshape: [256, 128, 128]
91
+ 2026-06-24 05:36:21,561 - meas_flipT: [0, 0, 0]
92
+ 2026-06-24 05:36:21,561 - meas_crop: None
93
+ 2026-06-24 05:36:21,561 - meas_pad: None
94
+ 2026-06-24 05:36:21,561 - meas_resample: None
95
+ 2026-06-24 05:36:21,562 - meas_add_source_size: None
96
+ 2026-06-24 05:36:21,562 - meas_add_detector_blur: None
97
+ 2026-06-24 05:36:21,562 - meas_remove_neg_values: {'mode': 'clip_neg', 'value': None, 'force': False}
98
+ 2026-06-24 05:36:21,562 - meas_normalization: {'mode': 'max_at_one', 'value': None}
99
+ 2026-06-24 05:36:21,562 - meas_add_poisson_noise: None
100
+ 2026-06-24 05:36:21,562 - meas_export: None
101
+ 2026-06-24 05:36:21,562 - probe_permute: None
102
+ 2026-06-24 05:36:21,562 - probe_z_shift: None
103
+ 2026-06-24 05:36:21,562 - probe_normalization: {'mode': 'mean_total_ints', 'value': None}
104
+ 2026-06-24 05:36:21,562 - pos_scan_flipT: None
105
+ 2026-06-24 05:36:21,562 - pos_scan_affine: None
106
+ 2026-06-24 05:36:21,562 - pos_scan_rand_std: 0.15
107
+ 2026-06-24 05:36:21,562 - obj_z_crop: None
108
+ 2026-06-24 05:36:21,562 - obj_z_pad: None
109
+ 2026-06-24 05:36:21,562 - obj_z_resample: None
110
+ 2026-06-24 05:36:21,562 - meas_source: file
111
+ 2026-06-24 05:36:21,562 - meas_params: {'path': '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000009_measurement.h5', 'key': 'measurement', 'shape': None, 'offset': None, 'gap': None, 'selection': None, 'zarr_kwargs': None}
112
+ 2026-06-24 05:36:21,562 - probe_source: simu
113
+ 2026-06-24 05:36:21,562 - probe_params: None
114
+ 2026-06-24 05:36:21,562 - pos_source: simu
115
+ 2026-06-24 05:36:21,562 - pos_params: None
116
+ 2026-06-24 05:36:21,562 - obj_source: simu
117
+ 2026-06-24 05:36:21,562 - obj_params: None
118
+ 2026-06-24 05:36:21,562 - tilt_source: simu
119
+ 2026-06-24 05:36:21,562 - tilt_params: {'tilt_type': 'all', 'init_tilts': [[0, 0]]}
120
+ 2026-06-24 05:36:21,562 -
121
+ 2026-06-24 05:36:21,562 - ### Initializing cache ###
122
+ 2026-06-24 05:36:21,562 - use_cached_obj = False
123
+ 2026-06-24 05:36:21,562 - use_cached_probe = False
124
+ 2026-06-24 05:36:21,562 - use_cached_pos = False
125
+ 2026-06-24 05:36:21,562 -
126
+ 2026-06-24 05:36:21,562 - ### Initializing measurements ###
127
+ 2026-06-24 05:36:21,562 - Loading measurements from source = 'file'
128
+ 2026-06-24 05:36:21,562 - Detected measurement file type = '.h5'
129
+ 2026-06-24 05:36:21,644 - Original measurements dtype is float32, casting to float32 (single precision) for computational efficiency.
130
+ 2026-06-24 05:36:21,645 - Imported meausrements shape / dtype = (16, 16, 128, 128), dtype = float32
131
+ 2026-06-24 05:36:21,646 - Imported meausrements int. statistics (min, mean, max) = (0.0000, 0.0001, 0.0005)
132
+ 2026-06-24 05:36:21,646 - Reshaping measurements to shape = [256, 128, 128]
133
+ 2026-06-24 05:36:21,646 - Flipping measurements with [flipud, fliplr, transpose] = [0, 0, 0]
134
+ 2026-06-24 05:36:21,648 - No negative values found in measurements. Skipping non-neg correction.
135
+ 2026-06-24 05:36:21,648 - Normalizing measurements with mode = 'max_at_one' and value = 'None'
136
+ 2026-06-24 05:36:21,649 - Normalizing by max of the 2D mean pattern intensity: 0.00036771825
137
+ 2026-06-24 05:36:21,650 - meausrements shape / dtype = (256, 128, 128), dtype = float32
138
+ 2026-06-24 05:36:21,651 - meausrements int. statistics (min, mean, max) = (0.0000, 0.1651, 1.4306)
139
+ 2026-06-24 05:36:21,651 - No negative values found in measurements. Skipping non-neg correction.
140
+ 2026-06-24 05:36:21,653 - Pattern total int. statistics (min, mean, max) = (2691.6978, 2705.3447, 2721.6626), with min/max = 98.9%
141
+ 2026-06-24 05:36:21,654 - Global meausrements int. statistics (min, mean, max) = (0.0000, 0.1651, 1.4306)
142
+ 2026-06-24 05:36:21,654 - measurements (N, Ky, Kx) = float32, (256, 128, 128)
143
+ 2026-06-24 05:36:21,654 -
144
+ 2026-06-24 05:36:21,654 - ### Setting up calibration ###
145
+ 2026-06-24 05:36:21,654 - meas_calibration mode = 'kMax', value = 2.5
146
+ 2026-06-24 05:36:21,654 - Using loaded raw averaged measurement (before crop/pad/resample) to fit RBF as a part of the meas calibration
147
+ 2026-06-24 05:36:21,654 - Radius of fitted bright field disk (RBF) = 29.22 px with meas_Npix = 128
148
+ 2026-06-24 05:36:21,654 - Suggested probe_mask_k radius (RBF*2/Npix) > 0.4565
149
+ 2026-06-24 05:36:21,654 - Fitting raw averaged measurement with center, radius, and Gaussian blur std as a sanity check
150
+ 2026-06-24 05:36:21,654 - Note that the fitted Gaussian blur std (detector blur) would be affected by overlapping Bragg disks
151
+ 2026-06-24 05:36:21,883 - Initial guess: center=(63.62, 63.63), radius=29.22, Gaussian blur std=0.50
152
+ 2026-06-24 05:36:21,899 - Final fit: center=(63.62, 63.63), radius=29.22, Gaussian blur std=0.80
153
+ 2026-06-24 05:36:21,899 - Using init_params, the inferred RBF (conv_angle / 1e3 * Npix * dx / wavelength) = 29.46 px with Npix = 128
154
+ 2026-06-24 05:36:21,899 - dx (real space pixel size of probe and object) set to 0.2000 Ang with Npix = 128
155
+ 2026-06-24 05:36:21,899 -
156
+ 2026-06-24 05:36:21,899 - ### Setting init_variables dict ###
157
+ 2026-06-24 05:36:21,900 - Derived values given input init_params:
158
+ 2026-06-24 05:36:21,900 - kv = 300.0 kV
159
+ 2026-06-24 05:36:21,900 - wavelength = 0.0197 Ang
160
+ 2026-06-24 05:36:21,900 - conv_angle = 22.653152465820312 mrad
161
+ 2026-06-24 05:36:21,900 - Npix = 128 px
162
+ 2026-06-24 05:36:21,900 - dk = 0.0391 Ang^-1
163
+ 2026-06-24 05:36:21,900 - kMax = 2.5000 Ang^-1
164
+ 2026-06-24 05:36:21,900 - da = 0.7690 mrad
165
+ 2026-06-24 05:36:21,900 - angleMax = 49.2187 mrad
166
+ 2026-06-24 05:36:21,900 - RBF = 29.4563 px (Inferred from the given calibration, NOT necessarily from the loaded measurement data)
167
+ 2026-06-24 05:36:21,900 - n_alpha = 2.1727 (# conv_angle)
168
+ 2026-06-24 05:36:21,900 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
169
+ 2026-06-24 05:36:21,900 - Rayleigh-limited resolution = 0.5301 Ang (0.61*lambda/alpha for focused probe )
170
+ 2026-06-24 05:36:21,900 - Real space probe extent = 25.6000 Ang
171
+ 2026-06-24 05:36:21,900 -
172
+ 2026-06-24 05:36:21,900 - ### Initializing probe ###
173
+ 2026-06-24 05:36:21,900 - Loading probe from source = 'simu'
174
+ 2026-06-24 05:36:21,900 - Using experimental parameters specified by 'init_params' for initial probe simulation.
175
+ 2026-06-24 05:36:21,900 - Start simulating STEM probe
176
+ 2026-06-24 05:36:21,900 - kv = 300.0 kV
177
+ 2026-06-24 05:36:21,900 - wavelength = 0.0197 Ang
178
+ 2026-06-24 05:36:21,900 - conv_angle = 22.653152465820312 mrad
179
+ 2026-06-24 05:36:21,900 - Npix = 128 px
180
+ 2026-06-24 05:36:21,900 - dk = 0.0391 Ang^-1
181
+ 2026-06-24 05:36:21,901 - kMax = 2.5000 Ang^-1
182
+ 2026-06-24 05:36:21,901 - alpha_max = 49.2187 mrad
183
+ 2026-06-24 05:36:21,901 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
184
+ 2026-06-24 05:36:21,901 - Rayleigh-limited resolution = 0.5301 Ang (0.61*lambda/alpha for focused probe )
185
+ 2026-06-24 05:36:21,901 - Real space probe extent = 25.6000 Ang
186
+ 2026-06-24 05:36:21,901 - Krivanek Haider Magnitude Angle (°) Description
187
+ 2026-06-24 05:36:21,901 - ------------------------------------------------------------------------------------
188
+ 2026-06-24 05:36:21,901 - C1,0 C1 -266.6030 - Defocus (C10 = -df)
189
+ 2026-06-24 05:36:21,901 - C1,2 A1 18.1720 229.66 2-fold astigmatism
190
+ 2026-06-24 05:36:21,901 - C2,1 3*B2 757.7010 298.59 Axial coma
191
+ 2026-06-24 05:36:21,901 - C2,3 A2 881.6240 3.72 3-fold astigmatism
192
+ 2026-06-24 05:36:21,901 - C3,0 C3 133419.6560 - Spherical aberration
193
+ 2026-06-24 05:36:21,901 - C3,2 4*S3 9907.3090 59.12 Axial star aberration
194
+ 2026-06-24 05:36:21,901 - C3,4 A3 -1121.2400 318.91 4-fold astigmatism
195
+ 2026-06-24 05:36:21,901 - C4,1 4*B4 -363432.1250 242.01 Axial coma(4th)
196
+ 2026-06-24 05:36:21,901 - C4,3 4*D4 -177851.1250 339.07 3-lobe aberration
197
+ 2026-06-24 05:36:21,901 - C4,5 A4 41571.3090 55.74 5-fold astigmatism
198
+ 2026-06-24 05:36:21,901 - C5,0 C5 269112576.0000 - Spherical aberration (5th)
199
+ 2026-06-24 05:36:21,901 - C5,2 6*S5 18410188.0000 311.70 Axial star aberration(5th)
200
+ 2026-06-24 05:36:21,901 - C5,4 6*R5 17605530.0000 199.50 4-lobe aberration
201
+ 2026-06-24 05:36:21,901 - C5,6 A5 -788044.6880 333.47 6-fold astigmatism
202
+ 2026-06-24 05:36:21,904 - Loaded probe shape = (1, 128, 128), dtype = complex128
203
+ 2026-06-24 05:36:21,904 - pmode_now: 1 and pmode_max: 6, padding the pmode.
204
+ 2026-06-24 05:36:21,904 - Creating 5 new probe modes from the major mode
205
+ 2026-06-24 05:36:21,904 - Start making mixed-state STEM probe with 6 incoherent probe modes
206
+ 2026-06-24 05:36:22,050 - Relative power of probe modes = [0.9 0.02 0.02 0.02 0.02 0.02]
207
+ 2026-06-24 05:36:22,051 - Orthogonalizing 6 pmodes
208
+ 2026-06-24 05:36:22,054 - Sorting 6 pmodes by their intensities
209
+ 2026-06-24 05:36:22,054 - Normalizing probe intensity with mode = 'mean_total_ints' and value = 'None'
210
+ 2026-06-24 05:36:22,055 - sum(|probe_data|**2) = 2705.34, while meas_total_ints (min, mean, max) = (2691.6978, 2705.3447, 2721.6626)
211
+ 2026-06-24 05:36:22,055 - probe (pmode, Ny, Nx) = complex64, (6, 128, 128)
212
+ 2026-06-24 05:36:22,055 -
213
+ 2026-06-24 05:36:22,055 - ### Initializing probe positions ###
214
+ 2026-06-24 05:36:22,055 - Loading probe positions from source = 'simu'
215
+ 2026-06-24 05:36:22,055 - Using experimental parameters specified by 'init_params' (dx, scan_step size, N_scan_slow, N_scan_fast) for initial position simulation.
216
+ 2026-06-24 05:36:22,055 - Simulating probe positions with dx = 0.2000, scan_step_size = 0.4337, N_scan_fast = 16, N_scan_slow = 16
217
+ 2026-06-24 05:36:22,055 - Applying Gaussian distributed random displacement with std = 0.15 px to scan positions
218
+ 2026-06-24 05:36:22,057 - crop_pos (N,2) = int16, (256, 2)
219
+ 2026-06-24 05:36:22,057 - crop_pos 1st and last px coords (y,x) = ([16, 16], [48, 48])
220
+ 2026-06-24 05:36:22,057 - crop_pos extent (Ang) = [6.8 6.8]
221
+ 2026-06-24 05:36:22,057 - probe_pos_shifts (N,2) = float32, (256, 2)
222
+ 2026-06-24 05:36:22,057 -
223
+ 2026-06-24 05:36:22,057 - ### Initializing object ###
224
+ 2026-06-24 05:36:22,057 - Loading object from source = 'simu'
225
+ 2026-06-24 05:36:22,058 - Using experimental parameters specified by 'init_params' for initial object simulation.
226
+ 2026-06-24 05:36:22,059 - omode_now: 1 and omode_max: 1, leaving the omode unchanged.
227
+ 2026-06-24 05:36:22,059 - object (omode, Nz, Ny, Nx) = complex64, (1, 1, 194, 194)
228
+ 2026-06-24 05:36:22,059 - object extent (Z, Y, X) (Ang) = [20. 38.8 38.8]
229
+ 2026-06-24 05:36:22,059 -
230
+ 2026-06-24 05:36:22,059 - ### Initializing omode_occu from 'uniform' ###
231
+ 2026-06-24 05:36:22,059 - omode_occu (omode) = float32, (1,)
232
+ 2026-06-24 05:36:22,059 -
233
+ 2026-06-24 05:36:22,059 - ### Initializing H (Fresnel propagator) ###
234
+ 2026-06-24 05:36:22,059 - Calculating H with probe_shape = (128, 128) px, dx = 0.2000 Ang, slice_thickness = 20.0000 Ang, lambd = 0.0197 Ang
235
+ 2026-06-24 05:36:22,060 - H (Ky, Kx) = complex64, (128, 128)
236
+ 2026-06-24 05:36:22,060 -
237
+ 2026-06-24 05:36:22,060 - ### Initializing obj tilts from = 'simu' ###
238
+ 2026-06-24 05:36:22,060 - Initialized obj_tilts with init_tilts = [[0, 0]] (theta_y, theta_x) mrad
239
+ 2026-06-24 05:36:22,060 - obj_tilts (N, 2) = float32, (1, 2)
240
+ 2026-06-24 05:36:22,060 -
241
+ 2026-06-24 05:36:22,060 - ### Checking consistency between input params with the initialized variables ###
242
+ 2026-06-24 05:36:22,060 - meas_Npix, simu_Npix, DP measurements, probe, and H shapes are consistent as '128'
243
+ 2026-06-24 05:36:22,060 - N_scans, len(meas), N_scan_slow*N_scan_fast, len(crop_pos), and len(probe_pos_shifts) are consistent as '256'
244
+ 2026-06-24 05:36:22,060 - obj.shape[0] is consistent with len(omode_occu) as '1'
245
+ 2026-06-24 05:36:22,060 - obj.shape[1] is consistent with Nlayer as '1'
246
+ 2026-06-24 05:36:22,061 - crop positions (yx_min=[15 15], yx_max=[177 177]) are well contained inside object canvas (Ny,Nx) = (194, 194).
247
+ 2026-06-24 05:36:22,061 - obj_tilts is consistent with either 1 or N_scans
248
+ 2026-06-24 05:36:22,061 - Pass the consistency check of initialized variables, initialization is done!
249
+ 2026-06-24 05:36:22,061 -
250
+ 2026-06-24 05:36:22,061 - ### Collecting reconstruction provenance ###
251
+ 2026-06-24 05:36:22,061 - Reconstruction provenance is collected and initialized.
252
+ 2026-06-24 05:36:22,061 -
253
+ 2026-06-24 05:36:22,061 - ### Initializing loss function ###
254
+ 2026-06-24 05:36:22,061 - Active loss types:
255
+ 2026-06-24 05:36:22,061 - loss_single : {'state': True, 'weight': 1.0, 'dp_pow': 0.5}
256
+ 2026-06-24 05:36:22,061 -
257
+ 2026-06-24 05:36:22,061 - ### Initializing constraint function ###
258
+ 2026-06-24 05:36:22,061 - Active constraint types:
259
+ 2026-06-24 05:36:22,061 - ortho_pmode : {'start_iter': 1, 'step': 1, 'end_iter': None}
260
+ 2026-06-24 05:36:22,061 - fix_probe_int : {'start_iter': 1, 'step': 1, 'end_iter': None}
261
+ 2026-06-24 05:36:22,061 - obj_zblur : {'start_iter': 1, 'step': 1, 'end_iter': None, 'obj_type': 'both', 'kernel_size': 5, 'std': 1.0}
262
+ 2026-06-24 05:36:22,061 - obja_thresh : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0, 'thresh': [0.96, 1.04]}
263
+ 2026-06-24 05:36:22,061 - pos_recenter : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0}
264
+ 2026-06-24 05:36:22,061 -
265
+ 2026-06-24 05:36:22,061 - ### Done initializing PtyRADSolver ###
266
+ 2026-06-24 05:36:22,061 -
267
+ 2026-06-24 05:36:22,184 - ### Starting the PtyRADSolver in reconstruct mode ###
268
+ 2026-06-24 05:36:22,184 -
269
+ 2026-06-24 05:36:22,184 - ### Initializing PtychoModel model ###
270
+ 2026-06-24 05:36:22,257 - ### PtychoModel optimizable variables ###
271
+ 2026-06-24 05:36:22,257 - obja : torch.Size([1, 1, 194, 194]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
272
+ 2026-06-24 05:36:22,257 - objp : torch.Size([1, 1, 194, 194]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
273
+ 2026-06-24 05:36:22,257 - obj_tilts : torch.Size([1, 2]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
274
+ 2026-06-24 05:36:22,257 - slice_thickness : torch.Size([]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
275
+ 2026-06-24 05:36:22,257 - probe : torch.Size([6, 128, 128, 2]) , torch.float32 , device:cuda:0, grad:True , lr:1e-04
276
+ 2026-06-24 05:36:22,257 - probe_pos_shifts: torch.Size([256, 2]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
277
+ 2026-06-24 05:36:22,257 -
278
+ 2026-06-24 05:36:22,257 - ### Optimizable variables statitsics ###
279
+ 2026-06-24 05:36:22,257 - Total measurement values : 4,194,304
280
+ 2026-06-24 05:36:22,257 - Total optimizing variables: 272,392
281
+ 2026-06-24 05:36:22,257 - Overdetermined ratio : 15.40
282
+ 2026-06-24 05:36:22,257 -
283
+ 2026-06-24 05:36:22,257 - ### Model behavior ###
284
+ 2026-06-24 05:36:22,257 - Tilt propagator : False
285
+ 2026-06-24 05:36:22,257 - Change slice thickness : False
286
+ 2026-06-24 05:36:22,257 - Detector blur : False
287
+ 2026-06-24 05:36:22,257 - Preload data : True
288
+ 2026-06-24 05:36:22,257 - On-the-fly meas padding : False
289
+ 2026-06-24 05:36:22,257 - On-the-fly meas resample : False
290
+ 2026-06-24 05:36:22,257 - On-the-fly simu match mode: None
291
+ 2026-06-24 05:36:22,258 -
292
+ 2026-06-24 05:36:22,299 - ### Done initializing PtychoModel model ###
293
+ 2026-06-24 05:36:22,299 -
294
+ 2026-06-24 05:36:22,299 - ### Creating PyTorch 'Adam' optimizer with configs = {} ###
295
+ 2026-06-24 05:36:22,299 -
296
+ 2026-06-24 05:36:22,299 - ### Generating indices, batches, and output_path ###
297
+ 2026-06-24 05:36:22,300 - d90 = 41.000 px or 8.200 Ang
298
+ 2026-06-24 05:36:22,300 - Selecting indices with the 'full' mode
299
+ 2026-06-24 05:36:22,761 - Generated 8 'random' groups of ~32 scan positions in 0.000 sec
300
+ 2026-06-24 05:36:22,834 - The effective batch size (i.e., how many probe positions are simultaneously used for 1 update of ptychographic parameters) is batch_size * grad_accumulation = 32 * 1 = 32
301
+ 2026-06-24 05:36:22,834 - Original recon_dir_affixes = ['default']
302
+ 2026-06-24 05:36:22,834 - Expanded recon_dir_affixes = ['indices', 'meas', 'batch', 'pmode', 'omode', 'nlayer', 'lr', 'model', 'constraint', 'loss', 'affine', 'tilt', 'aberrations']
303
+ 2026-06-24 05:36:22,841 - Path corrected for compatibility:
304
+ 2026-06-24 05:36:22,841 - Original: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.91e+03_phi32_59.1_C34_-1.12e+03_phi34_319_C41_-3.63e+05_phi41_242_C43_-1.78e+05_phi43_339_C45_4.16e+04_phi45_55.7_C50_2.69e+08_C52_1.84e+07_phi52_312_C54_1.76e+07_phi54_200_C56_-7.88e+05_phi56_333
305
+ 2026-06-24 05:36:22,841 - Corrected: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333
306
+ 2026-06-24 05:36:22,842 - output_path = '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333' is generated!
307
+ 2026-06-24 05:36:22,991 -
308
+ 2026-06-24 05:36:22,992 - ### Log file is flushed (created) as /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009/c30_small__simulation_data1__sample_000009_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-267_C12_18.2_phi12_230_C21_758_phi21_299_C23_882_phi23_3.72_C30_1.33e+05_C32_9.9.88e+05_phi56_333/20260624_053622_ptyrad_log.txt ###
309
+ 2026-06-24 05:36:22,992 -
310
+ 2026-06-24 05:36:22,993 - ### Creating ConvergenceMonitor with {'tensors': ['obja', 'objp', 'probe', 'probe_pos_shifts'], 'every_n_iters': None, 'percentile_range': [15.0, 85.0]} ###
311
+ 2026-06-24 05:36:22,993 - ### Start the PtyRAD iterative ptycho reconstruction ###
312
+ 2026-06-24 05:36:22,993 - Setting up PyTorch compiler with {'fullgraph': False, 'dynamic': None, 'backend': 'inductor', 'mode': 'default', 'options': None, 'disable': True}
313
+ 2026-06-24 05:36:24,185 - Iter: 1, Total Loss: 0.3887, loss_single: 0.3887, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.437 sec
314
+ 2026-06-24 05:36:24,222 - Iter: 2, Total Loss: 0.3786, loss_single: 0.3786, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
315
+ 2026-06-24 05:36:24,257 - Iter: 3, Total Loss: 0.3696, loss_single: 0.3696, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
316
+ 2026-06-24 05:36:24,293 - Iter: 4, Total Loss: 0.3604, loss_single: 0.3604, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
317
+ 2026-06-24 05:36:24,328 - Iter: 5, Total Loss: 0.3520, loss_single: 0.3520, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
318
+ 2026-06-24 05:36:24,363 - Iter: 6, Total Loss: 0.3446, loss_single: 0.3446, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
319
+ 2026-06-24 05:36:24,399 - Iter: 7, Total Loss: 0.3370, loss_single: 0.3370, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
320
+ 2026-06-24 05:36:24,434 - Iter: 8, Total Loss: 0.3301, loss_single: 0.3301, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
321
+ 2026-06-24 05:36:24,469 - Iter: 9, Total Loss: 0.3232, loss_single: 0.3232, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
322
+ 2026-06-24 05:36:24,506 - Iter: 10, Total Loss: 0.3161, loss_single: 0.3161, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
323
+ 2026-06-24 05:36:24,541 - Iter: 11, Total Loss: 0.3095, loss_single: 0.3095, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
324
+ 2026-06-24 05:36:24,577 - Iter: 12, Total Loss: 0.3038, loss_single: 0.3038, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
325
+ 2026-06-24 05:36:24,612 - Iter: 13, Total Loss: 0.2985, loss_single: 0.2985, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
326
+ 2026-06-24 05:36:24,647 - Iter: 14, Total Loss: 0.2931, loss_single: 0.2931, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
327
+ 2026-06-24 05:36:24,682 - Iter: 15, Total Loss: 0.2875, loss_single: 0.2875, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
328
+ 2026-06-24 05:36:24,718 - Iter: 16, Total Loss: 0.2823, loss_single: 0.2823, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
329
+ 2026-06-24 05:36:24,753 - Iter: 17, Total Loss: 0.2770, loss_single: 0.2770, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
330
+ 2026-06-24 05:36:24,789 - Iter: 18, Total Loss: 0.2723, loss_single: 0.2723, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
331
+ 2026-06-24 05:36:24,824 - Iter: 19, Total Loss: 0.2683, loss_single: 0.2683, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
332
+ 2026-06-24 05:36:24,859 - Iter: 20, Total Loss: 0.2635, loss_single: 0.2635, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
333
+ 2026-06-24 05:36:24,895 - Iter: 21, Total Loss: 0.2585, loss_single: 0.2585, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
334
+ 2026-06-24 05:36:24,930 - Iter: 22, Total Loss: 0.2539, loss_single: 0.2539, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
335
+ 2026-06-24 05:36:24,966 - Iter: 23, Total Loss: 0.2492, loss_single: 0.2492, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
336
+ 2026-06-24 05:36:25,001 - Iter: 24, Total Loss: 0.2438, loss_single: 0.2438, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
337
+ 2026-06-24 05:36:25,036 - Iter: 25, Total Loss: 0.2390, loss_single: 0.2390, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
338
+ 2026-06-24 05:36:25,071 - Iter: 26, Total Loss: 0.2349, loss_single: 0.2349, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
339
+ 2026-06-24 05:36:25,107 - Iter: 27, Total Loss: 0.2305, loss_single: 0.2305, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
340
+ 2026-06-24 05:36:25,142 - Iter: 28, Total Loss: 0.2262, loss_single: 0.2262, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
341
+ 2026-06-24 05:36:25,177 - Iter: 29, Total Loss: 0.2220, loss_single: 0.2220, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
342
+ 2026-06-24 05:36:25,212 - Iter: 30, Total Loss: 0.2181, loss_single: 0.2181, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
343
+ 2026-06-24 05:36:25,247 - Iter: 31, Total Loss: 0.2140, loss_single: 0.2140, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
344
+ 2026-06-24 05:36:25,283 - Iter: 32, Total Loss: 0.2102, loss_single: 0.2102, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
345
+ 2026-06-24 05:36:25,318 - Iter: 33, Total Loss: 0.2069, loss_single: 0.2069, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
346
+ 2026-06-24 05:36:25,353 - Iter: 34, Total Loss: 0.2035, loss_single: 0.2035, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
347
+ 2026-06-24 05:36:25,389 - Iter: 35, Total Loss: 0.1999, loss_single: 0.1999, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:25,822 - Iter: 46, Total Loss: 0.1698, loss_single: 0.1698, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:25,857 - Iter: 47, Total Loss: 0.1675, loss_single: 0.1675, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:26,141 - Iter: 55, Total Loss: 0.1545, loss_single: 0.1545, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:27,551 - Iter: 95, Total Loss: 0.1309, loss_single: 0.1309, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:27,586 - Iter: 96, Total Loss: 0.1308, loss_single: 0.1308, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:27,622 - Iter: 97, Total Loss: 0.1307, loss_single: 0.1307, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:27,657 - Iter: 98, Total Loss: 0.1306, loss_single: 0.1306, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:27,692 - Iter: 99, Total Loss: 0.1305, loss_single: 0.1305, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:27,727 - Iter: 100, Total Loss: 0.1304, loss_single: 0.1304, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:27,838 - Saving summary figures for iter 100
414
+ 2026-06-24 05:36:31,613 - ### Finished 100 iterations, averaged iter_t = 0.03893 with std = 0.040 ###
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+ 2026-06-24 05:36:31,613 -
416
+ 2026-06-24 05:36:31,613 - ### The PtyRADSolver is finished in 9.429 sec ###
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+ 2026-06-24 05:36:31,613 -
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+ output_dir: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000009
134
+ recon_dir_affixes:
135
+ - default
136
+ prefix: c30_small__simulation_data1__sample_000009
137
+ postfix: ''
138
+ compiler_configs:
139
+ enable: false
140
+ prefix_time: false
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@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2026-06-24 05:36:36,278 - ### PtyRAD LoggingManager configuration ###
2
+ 2026-06-24 05:36:36,278 - log_file = 'ptyrad_log.txt'. If log_file = None, no log file will be created.
3
+ 2026-06-24 05:36:36,278 - log_dir = 'auto'. If log_dir = 'auto', then log will be saved to `output_path` or 'logs/'.
4
+ 2026-06-24 05:36:36,278 - flush_file = True. Automatically set to True if `log_file is not None`
5
+ 2026-06-24 05:36:36,278 - prefix_time = datetime. If true, preset strings ('date', 'time', 'datetime'), or a string of time format, a datetime str is prefixed to the `log_file`.
6
+ 2026-06-24 05:36:36,278 - prefix_jobid = '0'. If not 0, it'll be prefixed to the log file. This is used for hypertune mode with multiple GPUs.
7
+ 2026-06-24 05:36:36,278 - append_to_file = True. If true, logs will be appended to the existing file. If false, the log file will be overwritten.
8
+ 2026-06-24 05:36:36,278 - show_timestamp = True. If true, the printed information will contain a timestamp.
9
+ 2026-06-24 05:36:36,278 -
10
+ 2026-06-24 05:36:36,385 - ### Initializing HuggingFace accelerator ###
11
+ 2026-06-24 05:36:36,385 - Accelerator.distributed_type = DistributedType.NO
12
+ 2026-06-24 05:36:36,385 - Accelerator.num_process = 1
13
+ 2026-06-24 05:36:36,385 - Accelerator.mixed_precision = no
14
+ 2026-06-24 05:36:36,409 - 'accelerate' is available but NOT using distributed mode or mixed precision
15
+ 2026-06-24 05:36:36,409 - If you want to utilize 'accelerate' for multiGPU or mixed precision,
16
+ 2026-06-24 05:36:36,409 - Run `accelerate launch --multi_gpu --num_processes=2 --mixed_precision='no' -m ptyrad run <PTYRAD_ARGUMENTS> --gpuid 'acc'` in your terminal
17
+ 2026-06-24 05:36:36,409 -
18
+ 2026-06-24 05:36:36,409 - ### System information ###
19
+ 2026-06-24 05:36:36,409 - Platform: Linux-4.18.0-553.69.1.el8_10.x86_64-x86_64-with-glibc2.28
20
+ 2026-06-24 05:36:36,409 - Operating System: Linux 4.18.0-553.69.1.el8_10.x86_64
21
+ 2026-06-24 05:36:36,409 - OS Version: #1 SMP Thu Aug 7 18:10:00 EDT 2025
22
+ 2026-06-24 05:36:36,409 - Machine: x86_64
23
+ 2026-06-24 05:36:36,409 - Processor: x86_64
24
+ 2026-06-24 05:36:36,409 - Available CPU cores: 8
25
+ 2026-06-24 05:36:36,410 - SLURM-Allocated Total Memory: 78.12 GB
26
+ 2026-06-24 05:36:36,410 -
27
+ 2026-06-24 05:36:36,410 - ### GPU information ###
28
+ 2026-06-24 05:36:36,410 - CUDA Available: True
29
+ 2026-06-24 05:36:36,410 - CUDA Version: 13.0
30
+ 2026-06-24 05:36:36,410 - Available CUDA GPUs: ['NVIDIA A100 80GB PCIe']
31
+ 2026-06-24 05:36:36,410 - CUDA Compute Capability: ['8.0']
32
+ 2026-06-24 05:36:36,410 - INFO: For torch.compile with Triton, you'll need CUDA GPU with Compute Capability >= 7.0.
33
+ 2026-06-24 05:36:36,410 - In addition, Triton does not directly support Windows.
34
+ 2026-06-24 05:36:36,410 - For Windows users, please follow the instruction and download `triton-windows` from https://github.com/woct0rdho/triton-windows.
35
+ 2026-06-24 05:36:36,426 - MIG (Multi-Instance GPU) mode = False
36
+ 2026-06-24 05:36:36,426 - INFO: MIG splits a physical GPU into multiple GPU slices, but multiGPU does not support these MIG slices.
37
+ 2026-06-24 05:36:36,426 - In addition, multiGPU is currently only available on Linux due to the limited NCCL support.
38
+ 2026-06-24 05:36:36,426 - -> If you're doing normal reconstruction/hypertune, you can safely ignore this.
39
+ 2026-06-24 05:36:36,426 - -> If you want to do multiGPU, you must provide multiple 'full' GPUs that are not in MIG mode.
40
+ 2026-06-24 05:36:36,426 -
41
+ 2026-06-24 05:36:36,426 - ### Python information ###
42
+ 2026-06-24 05:36:36,428 - Python Executable: /home/tnguye11/anaconda3/envs/ptyrad/bin/python3.12
43
+ 2026-06-24 05:36:36,428 - Python Version: 3.12.13 | packaged by Anaconda, Inc. | (main, Mar 19 2026, 20:20:58) [GCC 14.3.0]
44
+ 2026-06-24 05:36:36,428 -
45
+ 2026-06-24 05:36:36,428 - ### Packages information ###
46
+ 2026-06-24 05:36:36,428 - Numpy Version (metadata): 2.4.6
47
+ 2026-06-24 05:36:36,429 - PyTorch Version (metadata): 2.12.0
48
+ 2026-06-24 05:36:36,430 - Optuna Version (metadata): 4.9.0
49
+ 2026-06-24 05:36:36,431 - Accelerate Version (metadata): 1.13.0
50
+ 2026-06-24 05:36:36,431 - PtyRAD Version (ptyrad/__init__.py): 1.0.0
51
+ 2026-06-24 05:36:36,431 - PtyRAD is located at: /home/tnguye11/anaconda3/envs/ptyrad/lib/python3.12/site-packages/ptyrad/__init__.py
52
+ 2026-06-24 05:36:36,431 -
53
+ 2026-06-24 05:36:36,431 - ### Loading params file ###
54
+ 2026-06-24 05:36:36,431 - params_path = /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/params/c30_small/simulation_data1__sample_000010.yaml
55
+ 2026-06-24 05:36:36,438 - validate = True: Filling defaults and validating the params file...
56
+ 2026-06-24 05:36:36,439 - Success! Params file validated and defaults applied.
57
+ 2026-06-24 05:36:36,439 -
58
+ 2026-06-24 05:36:36,439 - ### Setting GPU Device ###
59
+ 2026-06-24 05:36:36,439 - Selected GPU device: cuda:0 (NVIDIA A100 80GB PCIe)
60
+ 2026-06-24 05:36:36,439 -
61
+ 2026-06-24 05:36:36,439 - Random seed: 20261854 provided by params file
62
+ 2026-06-24 05:36:36,439 - ### Initializing Initializer ###
63
+ 2026-06-24 05:36:36,440 - init_params are displayed below:
64
+ 2026-06-24 05:36:36,440 - random_seed: 20261854
65
+ 2026-06-24 05:36:36,440 - probe_illum_type: electron
66
+ 2026-06-24 05:36:36,440 - probe_kv: 60.0
67
+ 2026-06-24 05:36:36,440 - probe_conv_angle: 12.819171905517578
68
+ 2026-06-24 05:36:36,440 - probe_aberrations: {'C10': 6.817, 'C12': -46.184, 'phi12': 189.019, 'C21': 698.398, 'phi21': 27.966, 'C23': -991.115, 'phi23': 185.988, 'C30': 2867064.25, 'C32': -7273.422, 'phi32': 270.523, 'C34': 4690.002, 'phi34': 102.292, 'C41': -229145.469, 'phi41': 278.888, 'C43': 67091.086, 'phi43': 347.245, 'C45': 209215.375, 'phi45': 265.808, 'C50': 364242912.0, 'C52': 1600665.625, 'phi52': 83.851, 'C54': 10428370.0, 'phi54': 185.356, 'C56': 17220394.0, 'phi56': 117.476}
69
+ 2026-06-24 05:36:36,440 - beam_kev: None
70
+ 2026-06-24 05:36:36,440 - probe_dRn: None
71
+ 2026-06-24 05:36:36,440 - probe_Rn: None
72
+ 2026-06-24 05:36:36,440 - probe_D_H: None
73
+ 2026-06-24 05:36:36,440 - probe_D_FZP: None
74
+ 2026-06-24 05:36:36,440 - probe_Ls: None
75
+ 2026-06-24 05:36:36,440 - meas_Npix: 128
76
+ 2026-06-24 05:36:36,440 - pos_N_scans: 256
77
+ 2026-06-24 05:36:36,440 - pos_N_scan_slow: 16
78
+ 2026-06-24 05:36:36,440 - pos_N_scan_fast: 16
79
+ 2026-06-24 05:36:36,440 - pos_scan_step_size: 0.36360010504722595
80
+ 2026-06-24 05:36:36,440 - meas_calibration: {'mode': 'kMax', 'value': 2.5}
81
+ 2026-06-24 05:36:36,440 - probe_pmode_max: 6
82
+ 2026-06-24 05:36:36,440 - probe_pmode_init_pows: [0.02]
83
+ 2026-06-24 05:36:36,440 - obj_omode_max: 1
84
+ 2026-06-24 05:36:36,440 - obj_omode_init_occu: {'occu_type': 'uniform', 'init_occu': None}
85
+ 2026-06-24 05:36:36,440 - obj_Nlayer: 1
86
+ 2026-06-24 05:36:36,440 - obj_slice_thickness: 20.0
87
+ 2026-06-24 05:36:36,440 - simu_Npix: None
88
+ 2026-06-24 05:36:36,440 - simu_match_mode: None
89
+ 2026-06-24 05:36:36,440 - meas_permute: None
90
+ 2026-06-24 05:36:36,440 - meas_reshape: [256, 128, 128]
91
+ 2026-06-24 05:36:36,440 - meas_flipT: [0, 0, 0]
92
+ 2026-06-24 05:36:36,440 - meas_crop: None
93
+ 2026-06-24 05:36:36,440 - meas_pad: None
94
+ 2026-06-24 05:36:36,440 - meas_resample: None
95
+ 2026-06-24 05:36:36,440 - meas_add_source_size: None
96
+ 2026-06-24 05:36:36,441 - meas_add_detector_blur: None
97
+ 2026-06-24 05:36:36,441 - meas_remove_neg_values: {'mode': 'clip_neg', 'value': None, 'force': False}
98
+ 2026-06-24 05:36:36,441 - meas_normalization: {'mode': 'max_at_one', 'value': None}
99
+ 2026-06-24 05:36:36,441 - meas_add_poisson_noise: None
100
+ 2026-06-24 05:36:36,441 - meas_export: None
101
+ 2026-06-24 05:36:36,441 - probe_permute: None
102
+ 2026-06-24 05:36:36,441 - probe_z_shift: None
103
+ 2026-06-24 05:36:36,441 - probe_normalization: {'mode': 'mean_total_ints', 'value': None}
104
+ 2026-06-24 05:36:36,441 - pos_scan_flipT: None
105
+ 2026-06-24 05:36:36,441 - pos_scan_affine: None
106
+ 2026-06-24 05:36:36,441 - pos_scan_rand_std: 0.15
107
+ 2026-06-24 05:36:36,441 - obj_z_crop: None
108
+ 2026-06-24 05:36:36,441 - obj_z_pad: None
109
+ 2026-06-24 05:36:36,441 - obj_z_resample: None
110
+ 2026-06-24 05:36:36,441 - meas_source: file
111
+ 2026-06-24 05:36:36,441 - meas_params: {'path': '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000010_measurement.h5', 'key': 'measurement', 'shape': None, 'offset': None, 'gap': None, 'selection': None, 'zarr_kwargs': None}
112
+ 2026-06-24 05:36:36,441 - probe_source: simu
113
+ 2026-06-24 05:36:36,441 - probe_params: None
114
+ 2026-06-24 05:36:36,441 - pos_source: simu
115
+ 2026-06-24 05:36:36,441 - pos_params: None
116
+ 2026-06-24 05:36:36,441 - obj_source: simu
117
+ 2026-06-24 05:36:36,441 - obj_params: None
118
+ 2026-06-24 05:36:36,441 - tilt_source: simu
119
+ 2026-06-24 05:36:36,441 - tilt_params: {'tilt_type': 'all', 'init_tilts': [[0, 0]]}
120
+ 2026-06-24 05:36:36,441 -
121
+ 2026-06-24 05:36:36,441 - ### Initializing cache ###
122
+ 2026-06-24 05:36:36,441 - use_cached_obj = False
123
+ 2026-06-24 05:36:36,441 - use_cached_probe = False
124
+ 2026-06-24 05:36:36,441 - use_cached_pos = False
125
+ 2026-06-24 05:36:36,441 -
126
+ 2026-06-24 05:36:36,441 - ### Initializing measurements ###
127
+ 2026-06-24 05:36:36,441 - Loading measurements from source = 'file'
128
+ 2026-06-24 05:36:36,441 - Detected measurement file type = '.h5'
129
+ 2026-06-24 05:36:36,520 - Original measurements dtype is float32, casting to float32 (single precision) for computational efficiency.
130
+ 2026-06-24 05:36:36,520 - Imported meausrements shape / dtype = (16, 16, 128, 128), dtype = float32
131
+ 2026-06-24 05:36:36,522 - Imported meausrements int. statistics (min, mean, max) = (0.0000, 0.0001, 0.0085)
132
+ 2026-06-24 05:36:36,522 - Reshaping measurements to shape = [256, 128, 128]
133
+ 2026-06-24 05:36:36,522 - Flipping measurements with [flipud, fliplr, transpose] = [0, 0, 0]
134
+ 2026-06-24 05:36:36,523 - No negative values found in measurements. Skipping non-neg correction.
135
+ 2026-06-24 05:36:36,523 - Normalizing measurements with mode = 'max_at_one' and value = 'None'
136
+ 2026-06-24 05:36:36,523 - Normalizing by max of the 2D mean pattern intensity: 0.0066038887
137
+ 2026-06-24 05:36:36,524 - meausrements shape / dtype = (256, 128, 128), dtype = float32
138
+ 2026-06-24 05:36:36,525 - meausrements int. statistics (min, mean, max) = (0.0000, 0.0092, 1.2810)
139
+ 2026-06-24 05:36:36,526 - No negative values found in measurements. Skipping non-neg correction.
140
+ 2026-06-24 05:36:36,527 - Pattern total int. statistics (min, mean, max) = (150.1019, 151.0493, 152.2493), with min/max = 98.6%
141
+ 2026-06-24 05:36:36,528 - Global meausrements int. statistics (min, mean, max) = (0.0000, 0.0092, 1.2810)
142
+ 2026-06-24 05:36:36,528 - measurements (N, Ky, Kx) = float32, (256, 128, 128)
143
+ 2026-06-24 05:36:36,528 -
144
+ 2026-06-24 05:36:36,529 - ### Setting up calibration ###
145
+ 2026-06-24 05:36:36,529 - meas_calibration mode = 'kMax', value = 2.5
146
+ 2026-06-24 05:36:36,529 - Using loaded raw averaged measurement (before crop/pad/resample) to fit RBF as a part of the meas calibration
147
+ 2026-06-24 05:36:36,529 - Radius of fitted bright field disk (RBF) = 6.68 px with meas_Npix = 128
148
+ 2026-06-24 05:36:36,529 - Suggested probe_mask_k radius (RBF*2/Npix) > 0.1043
149
+ 2026-06-24 05:36:36,529 - Fitting raw averaged measurement with center, radius, and Gaussian blur std as a sanity check
150
+ 2026-06-24 05:36:36,529 - Note that the fitted Gaussian blur std (detector blur) would be affected by overlapping Bragg disks
151
+ 2026-06-24 05:36:36,752 - Initial guess: center=(63.63, 63.64), radius=6.68, Gaussian blur std=0.50
152
+ 2026-06-24 05:36:36,764 - Final fit: center=(63.63, 63.64), radius=6.68, Gaussian blur std=0.66
153
+ 2026-06-24 05:36:36,764 - Using init_params, the inferred RBF (conv_angle / 1e3 * Npix * dx / wavelength) = 6.74 px with Npix = 128
154
+ 2026-06-24 05:36:36,764 - dx (real space pixel size of probe and object) set to 0.2000 Ang with Npix = 128
155
+ 2026-06-24 05:36:36,764 -
156
+ 2026-06-24 05:36:36,764 - ### Setting init_variables dict ###
157
+ 2026-06-24 05:36:36,764 - Derived values given input init_params:
158
+ 2026-06-24 05:36:36,764 - kv = 60.0 kV
159
+ 2026-06-24 05:36:36,764 - wavelength = 0.0487 Ang
160
+ 2026-06-24 05:36:36,764 - conv_angle = 12.819171905517578 mrad
161
+ 2026-06-24 05:36:36,764 - Npix = 128 px
162
+ 2026-06-24 05:36:36,764 - dk = 0.0391 Ang^-1
163
+ 2026-06-24 05:36:36,764 - kMax = 2.5000 Ang^-1
164
+ 2026-06-24 05:36:36,764 - da = 1.9008 mrad
165
+ 2026-06-24 05:36:36,764 - angleMax = 121.6515 mrad
166
+ 2026-06-24 05:36:36,764 - RBF = 6.7441 px (Inferred from the given calibration, NOT necessarily from the loaded measurement data)
167
+ 2026-06-24 05:36:36,764 - n_alpha = 9.4898 (# conv_angle)
168
+ 2026-06-24 05:36:36,764 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
169
+ 2026-06-24 05:36:36,764 - Rayleigh-limited resolution = 2.3155 Ang (0.61*lambda/alpha for focused probe )
170
+ 2026-06-24 05:36:36,764 - Real space probe extent = 25.6000 Ang
171
+ 2026-06-24 05:36:36,764 -
172
+ 2026-06-24 05:36:36,764 - ### Initializing probe ###
173
+ 2026-06-24 05:36:36,764 - Loading probe from source = 'simu'
174
+ 2026-06-24 05:36:36,764 - Using experimental parameters specified by 'init_params' for initial probe simulation.
175
+ 2026-06-24 05:36:36,765 - Start simulating STEM probe
176
+ 2026-06-24 05:36:36,765 - kv = 60.0 kV
177
+ 2026-06-24 05:36:36,765 - wavelength = 0.0487 Ang
178
+ 2026-06-24 05:36:36,765 - conv_angle = 12.819171905517578 mrad
179
+ 2026-06-24 05:36:36,765 - Npix = 128 px
180
+ 2026-06-24 05:36:36,765 - dk = 0.0391 Ang^-1
181
+ 2026-06-24 05:36:36,765 - kMax = 2.5000 Ang^-1
182
+ 2026-06-24 05:36:36,765 - alpha_max = 121.6515 mrad
183
+ 2026-06-24 05:36:36,765 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
184
+ 2026-06-24 05:36:36,765 - Rayleigh-limited resolution = 2.3155 Ang (0.61*lambda/alpha for focused probe )
185
+ 2026-06-24 05:36:36,765 - Real space probe extent = 25.6000 Ang
186
+ 2026-06-24 05:36:36,765 - Krivanek Haider Magnitude Angle (°) Description
187
+ 2026-06-24 05:36:36,765 - ------------------------------------------------------------------------------------
188
+ 2026-06-24 05:36:36,765 - C1,0 C1 6.8170 - Defocus (C10 = -df)
189
+ 2026-06-24 05:36:36,765 - C1,2 A1 -46.1840 189.02 2-fold astigmatism
190
+ 2026-06-24 05:36:36,765 - C2,1 3*B2 698.3980 27.97 Axial coma
191
+ 2026-06-24 05:36:36,765 - C2,3 A2 -991.1150 185.99 3-fold astigmatism
192
+ 2026-06-24 05:36:36,765 - C3,0 C3 2867064.2500 - Spherical aberration
193
+ 2026-06-24 05:36:36,765 - C3,2 4*S3 -7273.4220 270.52 Axial star aberration
194
+ 2026-06-24 05:36:36,765 - C3,4 A3 4690.0020 102.29 4-fold astigmatism
195
+ 2026-06-24 05:36:36,765 - C4,1 4*B4 -229145.4690 278.89 Axial coma(4th)
196
+ 2026-06-24 05:36:36,765 - C4,3 4*D4 67091.0860 347.25 3-lobe aberration
197
+ 2026-06-24 05:36:36,765 - C4,5 A4 209215.3750 265.81 5-fold astigmatism
198
+ 2026-06-24 05:36:36,765 - C5,0 C5 364242912.0000 - Spherical aberration (5th)
199
+ 2026-06-24 05:36:36,765 - C5,2 6*S5 1600665.6250 83.85 Axial star aberration(5th)
200
+ 2026-06-24 05:36:36,765 - C5,4 6*R5 10428370.0000 185.36 4-lobe aberration
201
+ 2026-06-24 05:36:36,765 - C5,6 A5 17220394.0000 117.48 6-fold astigmatism
202
+ 2026-06-24 05:36:36,768 - Loaded probe shape = (1, 128, 128), dtype = complex128
203
+ 2026-06-24 05:36:36,768 - pmode_now: 1 and pmode_max: 6, padding the pmode.
204
+ 2026-06-24 05:36:36,768 - Creating 5 new probe modes from the major mode
205
+ 2026-06-24 05:36:36,768 - Start making mixed-state STEM probe with 6 incoherent probe modes
206
+ 2026-06-24 05:36:36,960 - Relative power of probe modes = [0.9 0.02 0.02 0.02 0.02 0.02]
207
+ 2026-06-24 05:36:36,961 - Orthogonalizing 6 pmodes
208
+ 2026-06-24 05:36:36,964 - Sorting 6 pmodes by their intensities
209
+ 2026-06-24 05:36:36,964 - Normalizing probe intensity with mode = 'mean_total_ints' and value = 'None'
210
+ 2026-06-24 05:36:36,965 - sum(|probe_data|**2) = 151.05, while meas_total_ints (min, mean, max) = (150.1019, 151.0493, 152.2493)
211
+ 2026-06-24 05:36:36,965 - probe (pmode, Ny, Nx) = complex64, (6, 128, 128)
212
+ 2026-06-24 05:36:36,965 -
213
+ 2026-06-24 05:36:36,965 - ### Initializing probe positions ###
214
+ 2026-06-24 05:36:36,965 - Loading probe positions from source = 'simu'
215
+ 2026-06-24 05:36:36,965 - Using experimental parameters specified by 'init_params' (dx, scan_step size, N_scan_slow, N_scan_fast) for initial position simulation.
216
+ 2026-06-24 05:36:36,965 - Simulating probe positions with dx = 0.2000, scan_step_size = 0.3636, N_scan_fast = 16, N_scan_slow = 16
217
+ 2026-06-24 05:36:36,965 - Applying Gaussian distributed random displacement with std = 0.15 px to scan positions
218
+ 2026-06-24 05:36:36,967 - crop_pos (N,2) = int16, (256, 2)
219
+ 2026-06-24 05:36:36,967 - crop_pos 1st and last px coords (y,x) = ([16, 16], [42, 43])
220
+ 2026-06-24 05:36:36,968 - crop_pos extent (Ang) = [5.6 5.6]
221
+ 2026-06-24 05:36:36,968 - probe_pos_shifts (N,2) = float32, (256, 2)
222
+ 2026-06-24 05:36:36,968 -
223
+ 2026-06-24 05:36:36,968 - ### Initializing object ###
224
+ 2026-06-24 05:36:36,968 - Loading object from source = 'simu'
225
+ 2026-06-24 05:36:36,968 - Using experimental parameters specified by 'init_params' for initial object simulation.
226
+ 2026-06-24 05:36:36,969 - omode_now: 1 and omode_max: 1, leaving the omode unchanged.
227
+ 2026-06-24 05:36:36,969 - object (omode, Nz, Ny, Nx) = complex64, (1, 1, 187, 187)
228
+ 2026-06-24 05:36:36,969 - object extent (Z, Y, X) (Ang) = [20. 37.4 37.4]
229
+ 2026-06-24 05:36:36,969 -
230
+ 2026-06-24 05:36:36,969 - ### Initializing omode_occu from 'uniform' ###
231
+ 2026-06-24 05:36:36,969 - omode_occu (omode) = float32, (1,)
232
+ 2026-06-24 05:36:36,970 -
233
+ 2026-06-24 05:36:36,970 - ### Initializing H (Fresnel propagator) ###
234
+ 2026-06-24 05:36:36,970 - Calculating H with probe_shape = (128, 128) px, dx = 0.2000 Ang, slice_thickness = 20.0000 Ang, lambd = 0.0487 Ang
235
+ 2026-06-24 05:36:36,970 - H (Ky, Kx) = complex64, (128, 128)
236
+ 2026-06-24 05:36:36,970 -
237
+ 2026-06-24 05:36:36,970 - ### Initializing obj tilts from = 'simu' ###
238
+ 2026-06-24 05:36:36,970 - Initialized obj_tilts with init_tilts = [[0, 0]] (theta_y, theta_x) mrad
239
+ 2026-06-24 05:36:36,970 - obj_tilts (N, 2) = float32, (1, 2)
240
+ 2026-06-24 05:36:36,970 -
241
+ 2026-06-24 05:36:36,970 - ### Checking consistency between input params with the initialized variables ###
242
+ 2026-06-24 05:36:36,970 - meas_Npix, simu_Npix, DP measurements, probe, and H shapes are consistent as '128'
243
+ 2026-06-24 05:36:36,971 - N_scans, len(meas), N_scan_slow*N_scan_fast, len(crop_pos), and len(probe_pos_shifts) are consistent as '256'
244
+ 2026-06-24 05:36:36,971 - obj.shape[0] is consistent with len(omode_occu) as '1'
245
+ 2026-06-24 05:36:36,971 - obj.shape[1] is consistent with Nlayer as '1'
246
+ 2026-06-24 05:36:36,971 - crop positions (yx_min=[15 15], yx_max=[171 171]) are well contained inside object canvas (Ny,Nx) = (187, 187).
247
+ 2026-06-24 05:36:36,971 - obj_tilts is consistent with either 1 or N_scans
248
+ 2026-06-24 05:36:36,971 - Pass the consistency check of initialized variables, initialization is done!
249
+ 2026-06-24 05:36:36,971 -
250
+ 2026-06-24 05:36:36,971 - ### Collecting reconstruction provenance ###
251
+ 2026-06-24 05:36:36,971 - Reconstruction provenance is collected and initialized.
252
+ 2026-06-24 05:36:36,971 -
253
+ 2026-06-24 05:36:36,971 - ### Initializing loss function ###
254
+ 2026-06-24 05:36:36,971 - Active loss types:
255
+ 2026-06-24 05:36:36,971 - loss_single : {'state': True, 'weight': 1.0, 'dp_pow': 0.5}
256
+ 2026-06-24 05:36:36,971 -
257
+ 2026-06-24 05:36:36,971 - ### Initializing constraint function ###
258
+ 2026-06-24 05:36:36,971 - Active constraint types:
259
+ 2026-06-24 05:36:36,971 - ortho_pmode : {'start_iter': 1, 'step': 1, 'end_iter': None}
260
+ 2026-06-24 05:36:36,971 - fix_probe_int : {'start_iter': 1, 'step': 1, 'end_iter': None}
261
+ 2026-06-24 05:36:36,971 - obj_zblur : {'start_iter': 1, 'step': 1, 'end_iter': None, 'obj_type': 'both', 'kernel_size': 5, 'std': 1.0}
262
+ 2026-06-24 05:36:36,971 - obja_thresh : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0, 'thresh': [0.96, 1.04]}
263
+ 2026-06-24 05:36:36,971 - pos_recenter : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0}
264
+ 2026-06-24 05:36:36,972 -
265
+ 2026-06-24 05:36:36,972 - ### Done initializing PtyRADSolver ###
266
+ 2026-06-24 05:36:36,972 -
267
+ 2026-06-24 05:36:37,095 - ### Starting the PtyRADSolver in reconstruct mode ###
268
+ 2026-06-24 05:36:37,096 -
269
+ 2026-06-24 05:36:37,096 - ### Initializing PtychoModel model ###
270
+ 2026-06-24 05:36:37,167 - ### PtychoModel optimizable variables ###
271
+ 2026-06-24 05:36:37,167 - obja : torch.Size([1, 1, 187, 187]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
272
+ 2026-06-24 05:36:37,167 - objp : torch.Size([1, 1, 187, 187]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
273
+ 2026-06-24 05:36:37,167 - obj_tilts : torch.Size([1, 2]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
274
+ 2026-06-24 05:36:37,167 - slice_thickness : torch.Size([]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
275
+ 2026-06-24 05:36:37,167 - probe : torch.Size([6, 128, 128, 2]) , torch.float32 , device:cuda:0, grad:True , lr:1e-04
276
+ 2026-06-24 05:36:37,167 - probe_pos_shifts: torch.Size([256, 2]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
277
+ 2026-06-24 05:36:37,167 -
278
+ 2026-06-24 05:36:37,167 - ### Optimizable variables statitsics ###
279
+ 2026-06-24 05:36:37,167 - Total measurement values : 4,194,304
280
+ 2026-06-24 05:36:37,167 - Total optimizing variables: 267,058
281
+ 2026-06-24 05:36:37,167 - Overdetermined ratio : 15.71
282
+ 2026-06-24 05:36:37,167 -
283
+ 2026-06-24 05:36:37,167 - ### Model behavior ###
284
+ 2026-06-24 05:36:37,167 - Tilt propagator : False
285
+ 2026-06-24 05:36:37,168 - Change slice thickness : False
286
+ 2026-06-24 05:36:37,168 - Detector blur : False
287
+ 2026-06-24 05:36:37,168 - Preload data : True
288
+ 2026-06-24 05:36:37,168 - On-the-fly meas padding : False
289
+ 2026-06-24 05:36:37,168 - On-the-fly meas resample : False
290
+ 2026-06-24 05:36:37,168 - On-the-fly simu match mode: None
291
+ 2026-06-24 05:36:37,168 -
292
+ 2026-06-24 05:36:37,208 - ### Done initializing PtychoModel model ###
293
+ 2026-06-24 05:36:37,209 -
294
+ 2026-06-24 05:36:37,209 - ### Creating PyTorch 'Adam' optimizer with configs = {} ###
295
+ 2026-06-24 05:36:37,209 -
296
+ 2026-06-24 05:36:37,209 - ### Generating indices, batches, and output_path ###
297
+ 2026-06-24 05:36:37,210 - d90 = 65.000 px or 13.000 Ang
298
+ 2026-06-24 05:36:37,210 - Selecting indices with the 'full' mode
299
+ 2026-06-24 05:36:37,678 - Generated 8 'random' groups of ~32 scan positions in 0.000 sec
300
+ 2026-06-24 05:36:37,751 - The effective batch size (i.e., how many probe positions are simultaneously used for 1 update of ptychographic parameters) is batch_size * grad_accumulation = 32 * 1 = 32
301
+ 2026-06-24 05:36:37,752 - Original recon_dir_affixes = ['default']
302
+ 2026-06-24 05:36:37,752 - Expanded recon_dir_affixes = ['indices', 'meas', 'batch', 'pmode', 'omode', 'nlayer', 'lr', 'model', 'constraint', 'loss', 'affine', 'tilt', 'aberrations']
303
+ 2026-06-24 05:36:37,758 - Path corrected for compatibility:
304
+ 2026-06-24 05:36:37,758 - Original: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7.27e+03_phi32_271_C34_4.69e+03_phi34_102_C41_-2.29e+05_phi41_279_C43_6.71e+04_phi43_347_C45_2.09e+05_phi45_266_C50_3.64e+08_C52_1.6e+06_phi52_83.9_C54_1.04e+07_phi54_185_C56_1.72e+07_phi56_117
305
+ 2026-06-24 05:36:37,758 - Corrected: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7..72e+07_phi56_117
306
+ 2026-06-24 05:36:37,759 - output_path = '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7..72e+07_phi56_117' is generated!
307
+ 2026-06-24 05:36:37,903 -
308
+ 2026-06-24 05:36:37,904 - ### Log file is flushed (created) as /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010/c30_small__simulation_data1__sample_000010_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_6.82_C12_-46.2_phi12_189_C21_698_phi21_28_C23_-991_phi23_186_C30_2.87e+06_C32_-7..72e+07_phi56_117/20260624_053637_ptyrad_log.txt ###
309
+ 2026-06-24 05:36:37,904 -
310
+ 2026-06-24 05:36:37,905 - ### Creating ConvergenceMonitor with {'tensors': ['obja', 'objp', 'probe', 'probe_pos_shifts'], 'every_n_iters': None, 'percentile_range': [15.0, 85.0]} ###
311
+ 2026-06-24 05:36:37,905 - ### Start the PtyRAD iterative ptycho reconstruction ###
312
+ 2026-06-24 05:36:37,905 - Setting up PyTorch compiler with {'fullgraph': False, 'dynamic': None, 'backend': 'inductor', 'mode': 'default', 'options': None, 'disable': True}
313
+ 2026-06-24 05:36:39,099 - Iter: 1, Total Loss: 1.2446, loss_single: 1.2446, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.436 sec
314
+ 2026-06-24 05:36:39,136 - Iter: 2, Total Loss: 1.1707, loss_single: 1.1707, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
315
+ 2026-06-24 05:36:39,172 - Iter: 3, Total Loss: 1.1140, loss_single: 1.1140, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
316
+ 2026-06-24 05:36:39,208 - Iter: 4, Total Loss: 1.0532, loss_single: 1.0532, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
317
+ 2026-06-24 05:36:39,243 - Iter: 5, Total Loss: 0.9869, loss_single: 0.9869, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
318
+ 2026-06-24 05:36:39,279 - Iter: 6, Total Loss: 0.9253, loss_single: 0.9253, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
319
+ 2026-06-24 05:36:39,313 - Iter: 7, Total Loss: 0.8804, loss_single: 0.8804, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
320
+ 2026-06-24 05:36:39,349 - Iter: 8, Total Loss: 0.8428, loss_single: 0.8428, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
321
+ 2026-06-24 05:36:39,385 - Iter: 9, Total Loss: 0.7982, loss_single: 0.7982, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
322
+ 2026-06-24 05:36:39,420 - Iter: 10, Total Loss: 0.7609, loss_single: 0.7609, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
323
+ 2026-06-24 05:36:39,455 - Iter: 11, Total Loss: 0.7257, loss_single: 0.7257, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
324
+ 2026-06-24 05:36:39,490 - Iter: 12, Total Loss: 0.6827, loss_single: 0.6827, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
325
+ 2026-06-24 05:36:39,525 - Iter: 13, Total Loss: 0.6416, loss_single: 0.6416, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
326
+ 2026-06-24 05:36:39,560 - Iter: 14, Total Loss: 0.6026, loss_single: 0.6026, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
327
+ 2026-06-24 05:36:39,596 - Iter: 15, Total Loss: 0.5681, loss_single: 0.5681, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
328
+ 2026-06-24 05:36:39,632 - Iter: 16, Total Loss: 0.5397, loss_single: 0.5397, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
329
+ 2026-06-24 05:36:39,667 - Iter: 17, Total Loss: 0.5132, loss_single: 0.5132, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
330
+ 2026-06-24 05:36:39,702 - Iter: 18, Total Loss: 0.4897, loss_single: 0.4897, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
331
+ 2026-06-24 05:36:39,738 - Iter: 19, Total Loss: 0.4690, loss_single: 0.4690, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
332
+ 2026-06-24 05:36:39,773 - Iter: 20, Total Loss: 0.4497, loss_single: 0.4497, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
333
+ 2026-06-24 05:36:39,809 - Iter: 21, Total Loss: 0.4322, loss_single: 0.4322, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
334
+ 2026-06-24 05:36:39,844 - Iter: 22, Total Loss: 0.4191, loss_single: 0.4191, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
335
+ 2026-06-24 05:36:39,880 - Iter: 23, Total Loss: 0.4101, loss_single: 0.4101, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:39,989 - Iter: 26, Total Loss: 0.3984, loss_single: 0.3984, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.038 sec
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+ 2026-06-24 05:36:40,024 - Iter: 27, Total Loss: 0.3972, loss_single: 0.3972, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,166 - Iter: 31, Total Loss: 0.3945, loss_single: 0.3945, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,201 - Iter: 32, Total Loss: 0.3940, loss_single: 0.3940, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:40,236 - Iter: 33, Total Loss: 0.3936, loss_single: 0.3936, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,272 - Iter: 34, Total Loss: 0.3931, loss_single: 0.3931, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,307 - Iter: 35, Total Loss: 0.3927, loss_single: 0.3927, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,342 - Iter: 36, Total Loss: 0.3923, loss_single: 0.3923, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,378 - Iter: 37, Total Loss: 0.3920, loss_single: 0.3920, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,413 - Iter: 38, Total Loss: 0.3917, loss_single: 0.3917, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:36:40,449 - Iter: 39, Total Loss: 0.3914, loss_single: 0.3914, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,484 - Iter: 40, Total Loss: 0.3911, loss_single: 0.3911, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,522 - Iter: 41, Total Loss: 0.3908, loss_single: 0.3908, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,558 - Iter: 42, Total Loss: 0.3905, loss_single: 0.3905, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,593 - Iter: 43, Total Loss: 0.3902, loss_single: 0.3902, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,628 - Iter: 44, Total Loss: 0.3900, loss_single: 0.3900, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,663 - Iter: 45, Total Loss: 0.3897, loss_single: 0.3897, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,698 - Iter: 46, Total Loss: 0.3894, loss_single: 0.3894, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,733 - Iter: 47, Total Loss: 0.3892, loss_single: 0.3892, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,769 - Iter: 48, Total Loss: 0.3890, loss_single: 0.3890, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,804 - Iter: 49, Total Loss: 0.3887, loss_single: 0.3887, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,840 - Iter: 50, Total Loss: 0.3885, loss_single: 0.3885, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,876 - Iter: 51, Total Loss: 0.3882, loss_single: 0.3882, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,911 - Iter: 52, Total Loss: 0.3880, loss_single: 0.3880, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,947 - Iter: 53, Total Loss: 0.3877, loss_single: 0.3877, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:40,982 - Iter: 54, Total Loss: 0.3875, loss_single: 0.3875, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,017 - Iter: 55, Total Loss: 0.3873, loss_single: 0.3873, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,053 - Iter: 56, Total Loss: 0.3870, loss_single: 0.3870, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,088 - Iter: 57, Total Loss: 0.3868, loss_single: 0.3868, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,123 - Iter: 58, Total Loss: 0.3865, loss_single: 0.3865, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,158 - Iter: 59, Total Loss: 0.3863, loss_single: 0.3863, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:41,193 - Iter: 60, Total Loss: 0.3860, loss_single: 0.3860, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,228 - Iter: 61, Total Loss: 0.3858, loss_single: 0.3858, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,263 - Iter: 62, Total Loss: 0.3855, loss_single: 0.3855, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:41,298 - Iter: 63, Total Loss: 0.3853, loss_single: 0.3853, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,333 - Iter: 64, Total Loss: 0.3850, loss_single: 0.3850, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,369 - Iter: 65, Total Loss: 0.3848, loss_single: 0.3848, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,404 - Iter: 66, Total Loss: 0.3845, loss_single: 0.3845, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,439 - Iter: 67, Total Loss: 0.3843, loss_single: 0.3843, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,474 - Iter: 68, Total Loss: 0.3840, loss_single: 0.3840, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,509 - Iter: 69, Total Loss: 0.3838, loss_single: 0.3838, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,545 - Iter: 70, Total Loss: 0.3835, loss_single: 0.3835, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,580 - Iter: 71, Total Loss: 0.3832, loss_single: 0.3832, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,615 - Iter: 72, Total Loss: 0.3830, loss_single: 0.3830, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,650 - Iter: 73, Total Loss: 0.3827, loss_single: 0.3827, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,685 - Iter: 74, Total Loss: 0.3825, loss_single: 0.3825, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:41,720 - Iter: 75, Total Loss: 0.3822, loss_single: 0.3822, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,755 - Iter: 76, Total Loss: 0.3819, loss_single: 0.3819, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,790 - Iter: 77, Total Loss: 0.3817, loss_single: 0.3817, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,825 - Iter: 78, Total Loss: 0.3814, loss_single: 0.3814, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,861 - Iter: 79, Total Loss: 0.3811, loss_single: 0.3811, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,896 - Iter: 80, Total Loss: 0.3809, loss_single: 0.3809, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,932 - Iter: 81, Total Loss: 0.3806, loss_single: 0.3806, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:41,967 - Iter: 82, Total Loss: 0.3803, loss_single: 0.3803, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,002 - Iter: 83, Total Loss: 0.3801, loss_single: 0.3801, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,037 - Iter: 84, Total Loss: 0.3798, loss_single: 0.3798, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,072 - Iter: 85, Total Loss: 0.3795, loss_single: 0.3795, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,107 - Iter: 86, Total Loss: 0.3793, loss_single: 0.3793, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,142 - Iter: 87, Total Loss: 0.3790, loss_single: 0.3790, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:42,177 - Iter: 88, Total Loss: 0.3787, loss_single: 0.3787, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,212 - Iter: 89, Total Loss: 0.3784, loss_single: 0.3784, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,247 - Iter: 90, Total Loss: 0.3782, loss_single: 0.3782, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:42,283 - Iter: 91, Total Loss: 0.3779, loss_single: 0.3779, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,320 - Iter: 92, Total Loss: 0.3776, loss_single: 0.3776, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
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+ 2026-06-24 05:36:42,355 - Iter: 93, Total Loss: 0.3774, loss_single: 0.3774, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,390 - Iter: 94, Total Loss: 0.3771, loss_single: 0.3771, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,426 - Iter: 95, Total Loss: 0.3768, loss_single: 0.3768, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,460 - Iter: 96, Total Loss: 0.3766, loss_single: 0.3766, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:36:42,495 - Iter: 97, Total Loss: 0.3763, loss_single: 0.3763, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,531 - Iter: 98, Total Loss: 0.3760, loss_single: 0.3760, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,566 - Iter: 99, Total Loss: 0.3757, loss_single: 0.3757, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,601 - Iter: 100, Total Loss: 0.3755, loss_single: 0.3755, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:36:42,711 - Saving summary figures for iter 100
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+ 2026-06-24 05:36:46,280 - ### Finished 100 iterations, averaged iter_t = 0.038926 with std = 0.040 ###
415
+ 2026-06-24 05:36:46,280 -
416
+ 2026-06-24 05:36:46,280 - ### The PtyRADSolver is finished in 9.184 sec ###
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+ 2026-06-24 05:36:46,280 -
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+ meas_resample: null
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+ pos_scan_affine: null
50
+ meas_params:
51
+ path: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000010_measurement.h5
52
+ key: measurement
53
+ random_seed: 20261854
54
+ obj_omode_max: 1
55
+ meas_calibration:
56
+ mode: kMax
57
+ value: 2.5
58
+ model_params:
59
+ detector_blur_std: null
60
+ update_params:
61
+ obja:
62
+ start_iter: 1
63
+ lr: 0.0005
64
+ end_iter: null
65
+ objp:
66
+ start_iter: 1
67
+ lr: 0.0005
68
+ end_iter: null
69
+ probe:
70
+ start_iter: 1
71
+ lr: 0.0001
72
+ end_iter: null
73
+ probe_pos_shifts:
74
+ start_iter: 1
75
+ lr: 0.0005
76
+ end_iter: null
77
+ loss_params:
78
+ loss_single:
79
+ state: true
80
+ weight: 1.0
81
+ dp_pow: 0.5
82
+ loss_poissn:
83
+ state: false
84
+ weight: 1.0
85
+ dp_pow: 1.0
86
+ eps: 1.0e-06
87
+ loss_sparse:
88
+ state: false
89
+ weight: 0.1
90
+ ln_order: 1
91
+ constraint_params:
92
+ ortho_pmode:
93
+ start_iter: 1
94
+ step: 1
95
+ end_iter: null
96
+ fix_probe_int:
97
+ start_iter: 1
98
+ step: 1
99
+ end_iter: null
100
+ obj_rblur:
101
+ start_iter: null
102
+ step: 1
103
+ end_iter: null
104
+ obj_type: both
105
+ kernel_size: 5
106
+ std: 0.4
107
+ obj_zblur:
108
+ start_iter: 1
109
+ step: 1
110
+ end_iter: null
111
+ obj_type: both
112
+ kernel_size: 5
113
+ std: 1
114
+ obja_thresh:
115
+ start_iter: 1
116
+ step: 1
117
+ end_iter: null
118
+ relax: 0
119
+ thresh:
120
+ - 0.96
121
+ - 1.04
122
+ objp_postiv:
123
+ start_iter: null
124
+ step: 1
125
+ end_iter: null
126
+ relax: 0
127
+ recon_params:
128
+ NITER: 100
129
+ BATCH_SIZE:
130
+ size: 32
131
+ grad_accumulation: 1
132
+ SAVE_ITERS: 100
133
+ output_dir: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000010
134
+ recon_dir_affixes:
135
+ - default
136
+ prefix: c30_small__simulation_data1__sample_000010
137
+ postfix: ''
138
+ compiler_configs:
139
+ enable: false
140
+ prefix_time: false
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ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000013/c30_small__simulation_data1__sample_000013_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-560_C12_35.3_phi12_331_C21_810_phi21_131_C23_-495_phi23_41.6_C30_3.96e+06_C32_-7.06e+03_phi32_2.6/20260624_053722_ptyrad_log.txt ADDED
@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2026-06-24 05:37:20,480 - ### PtyRAD LoggingManager configuration ###
2
+ 2026-06-24 05:37:20,480 - log_file = 'ptyrad_log.txt'. If log_file = None, no log file will be created.
3
+ 2026-06-24 05:37:20,480 - log_dir = 'auto'. If log_dir = 'auto', then log will be saved to `output_path` or 'logs/'.
4
+ 2026-06-24 05:37:20,480 - flush_file = True. Automatically set to True if `log_file is not None`
5
+ 2026-06-24 05:37:20,480 - prefix_time = datetime. If true, preset strings ('date', 'time', 'datetime'), or a string of time format, a datetime str is prefixed to the `log_file`.
6
+ 2026-06-24 05:37:20,480 - prefix_jobid = '0'. If not 0, it'll be prefixed to the log file. This is used for hypertune mode with multiple GPUs.
7
+ 2026-06-24 05:37:20,480 - append_to_file = True. If true, logs will be appended to the existing file. If false, the log file will be overwritten.
8
+ 2026-06-24 05:37:20,480 - show_timestamp = True. If true, the printed information will contain a timestamp.
9
+ 2026-06-24 05:37:20,480 -
10
+ 2026-06-24 05:37:20,587 - ### Initializing HuggingFace accelerator ###
11
+ 2026-06-24 05:37:20,587 - Accelerator.distributed_type = DistributedType.NO
12
+ 2026-06-24 05:37:20,587 - Accelerator.num_process = 1
13
+ 2026-06-24 05:37:20,587 - Accelerator.mixed_precision = no
14
+ 2026-06-24 05:37:20,598 - 'accelerate' is available but NOT using distributed mode or mixed precision
15
+ 2026-06-24 05:37:20,598 - If you want to utilize 'accelerate' for multiGPU or mixed precision,
16
+ 2026-06-24 05:37:20,598 - Run `accelerate launch --multi_gpu --num_processes=2 --mixed_precision='no' -m ptyrad run <PTYRAD_ARGUMENTS> --gpuid 'acc'` in your terminal
17
+ 2026-06-24 05:37:20,598 -
18
+ 2026-06-24 05:37:20,598 - ### System information ###
19
+ 2026-06-24 05:37:20,598 - Platform: Linux-4.18.0-553.69.1.el8_10.x86_64-x86_64-with-glibc2.28
20
+ 2026-06-24 05:37:20,598 - Operating System: Linux 4.18.0-553.69.1.el8_10.x86_64
21
+ 2026-06-24 05:37:20,598 - OS Version: #1 SMP Thu Aug 7 18:10:00 EDT 2025
22
+ 2026-06-24 05:37:20,598 - Machine: x86_64
23
+ 2026-06-24 05:37:20,599 - Processor: x86_64
24
+ 2026-06-24 05:37:20,599 - Available CPU cores: 8
25
+ 2026-06-24 05:37:20,599 - SLURM-Allocated Total Memory: 78.12 GB
26
+ 2026-06-24 05:37:20,599 -
27
+ 2026-06-24 05:37:20,599 - ### GPU information ###
28
+ 2026-06-24 05:37:20,599 - CUDA Available: True
29
+ 2026-06-24 05:37:20,599 - CUDA Version: 13.0
30
+ 2026-06-24 05:37:20,599 - Available CUDA GPUs: ['NVIDIA A100 80GB PCIe']
31
+ 2026-06-24 05:37:20,599 - CUDA Compute Capability: ['8.0']
32
+ 2026-06-24 05:37:20,599 - INFO: For torch.compile with Triton, you'll need CUDA GPU with Compute Capability >= 7.0.
33
+ 2026-06-24 05:37:20,599 - In addition, Triton does not directly support Windows.
34
+ 2026-06-24 05:37:20,599 - For Windows users, please follow the instruction and download `triton-windows` from https://github.com/woct0rdho/triton-windows.
35
+ 2026-06-24 05:37:20,615 - MIG (Multi-Instance GPU) mode = False
36
+ 2026-06-24 05:37:20,615 - INFO: MIG splits a physical GPU into multiple GPU slices, but multiGPU does not support these MIG slices.
37
+ 2026-06-24 05:37:20,615 - In addition, multiGPU is currently only available on Linux due to the limited NCCL support.
38
+ 2026-06-24 05:37:20,615 - -> If you're doing normal reconstruction/hypertune, you can safely ignore this.
39
+ 2026-06-24 05:37:20,615 - -> If you want to do multiGPU, you must provide multiple 'full' GPUs that are not in MIG mode.
40
+ 2026-06-24 05:37:20,615 -
41
+ 2026-06-24 05:37:20,615 - ### Python information ###
42
+ 2026-06-24 05:37:20,617 - Python Executable: /home/tnguye11/anaconda3/envs/ptyrad/bin/python3.12
43
+ 2026-06-24 05:37:20,617 - Python Version: 3.12.13 | packaged by Anaconda, Inc. | (main, Mar 19 2026, 20:20:58) [GCC 14.3.0]
44
+ 2026-06-24 05:37:20,617 -
45
+ 2026-06-24 05:37:20,617 - ### Packages information ###
46
+ 2026-06-24 05:37:20,618 - Numpy Version (metadata): 2.4.6
47
+ 2026-06-24 05:37:20,618 - PyTorch Version (metadata): 2.12.0
48
+ 2026-06-24 05:37:20,619 - Optuna Version (metadata): 4.9.0
49
+ 2026-06-24 05:37:20,620 - Accelerate Version (metadata): 1.13.0
50
+ 2026-06-24 05:37:20,620 - PtyRAD Version (ptyrad/__init__.py): 1.0.0
51
+ 2026-06-24 05:37:20,620 - PtyRAD is located at: /home/tnguye11/anaconda3/envs/ptyrad/lib/python3.12/site-packages/ptyrad/__init__.py
52
+ 2026-06-24 05:37:20,620 -
53
+ 2026-06-24 05:37:20,620 - ### Loading params file ###
54
+ 2026-06-24 05:37:20,620 - params_path = /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/params/c30_small/simulation_data1__sample_000013.yaml
55
+ 2026-06-24 05:37:20,627 - validate = True: Filling defaults and validating the params file...
56
+ 2026-06-24 05:37:20,628 - Success! Params file validated and defaults applied.
57
+ 2026-06-24 05:37:20,628 -
58
+ 2026-06-24 05:37:20,628 - ### Setting GPU Device ###
59
+ 2026-06-24 05:37:20,628 - Selected GPU device: cuda:0 (NVIDIA A100 80GB PCIe)
60
+ 2026-06-24 05:37:20,628 -
61
+ 2026-06-24 05:37:20,628 - Random seed: 20261857 provided by params file
62
+ 2026-06-24 05:37:20,628 - ### Initializing Initializer ###
63
+ 2026-06-24 05:37:20,629 - init_params are displayed below:
64
+ 2026-06-24 05:37:20,629 - random_seed: 20261857
65
+ 2026-06-24 05:37:20,629 - probe_illum_type: electron
66
+ 2026-06-24 05:37:20,629 - probe_kv: 80.0
67
+ 2026-06-24 05:37:20,629 - probe_conv_angle: 16.1203670501709
68
+ 2026-06-24 05:37:20,629 - probe_aberrations: {'C10': -560.077, 'C12': 35.326, 'phi12': 330.623, 'C21': 809.986, 'phi21': 130.577, 'C23': -494.813, 'phi23': 41.647, 'C30': 3962327.75, 'C32': -7056.434, 'phi32': 211.292, 'C34': -5681.441, 'phi34': 145.407, 'C41': -223541.406, 'phi41': 123.519, 'C43': 129071.148, 'phi43': 245.656, 'C45': 124501.633, 'phi45': 192.589, 'C50': -174077264.0, 'C52': -7003224.5, 'phi52': 181.199, 'C54': 9173544.0, 'phi54': 199.834, 'C56': 11069104.0, 'phi56': 12.622}
69
+ 2026-06-24 05:37:20,629 - beam_kev: None
70
+ 2026-06-24 05:37:20,629 - probe_dRn: None
71
+ 2026-06-24 05:37:20,629 - probe_Rn: None
72
+ 2026-06-24 05:37:20,629 - probe_D_H: None
73
+ 2026-06-24 05:37:20,629 - probe_D_FZP: None
74
+ 2026-06-24 05:37:20,629 - probe_Ls: None
75
+ 2026-06-24 05:37:20,629 - meas_Npix: 128
76
+ 2026-06-24 05:37:20,629 - pos_N_scans: 256
77
+ 2026-06-24 05:37:20,629 - pos_N_scan_slow: 16
78
+ 2026-06-24 05:37:20,629 - pos_N_scan_fast: 16
79
+ 2026-06-24 05:37:20,629 - pos_scan_step_size: 0.361175537109375
80
+ 2026-06-24 05:37:20,629 - meas_calibration: {'mode': 'kMax', 'value': 2.5}
81
+ 2026-06-24 05:37:20,629 - probe_pmode_max: 6
82
+ 2026-06-24 05:37:20,629 - probe_pmode_init_pows: [0.02]
83
+ 2026-06-24 05:37:20,629 - obj_omode_max: 1
84
+ 2026-06-24 05:37:20,629 - obj_omode_init_occu: {'occu_type': 'uniform', 'init_occu': None}
85
+ 2026-06-24 05:37:20,629 - obj_Nlayer: 1
86
+ 2026-06-24 05:37:20,629 - obj_slice_thickness: 20.0
87
+ 2026-06-24 05:37:20,629 - simu_Npix: None
88
+ 2026-06-24 05:37:20,629 - simu_match_mode: None
89
+ 2026-06-24 05:37:20,629 - meas_permute: None
90
+ 2026-06-24 05:37:20,629 - meas_reshape: [256, 128, 128]
91
+ 2026-06-24 05:37:20,629 - meas_flipT: [0, 0, 0]
92
+ 2026-06-24 05:37:20,629 - meas_crop: None
93
+ 2026-06-24 05:37:20,629 - meas_pad: None
94
+ 2026-06-24 05:37:20,629 - meas_resample: None
95
+ 2026-06-24 05:37:20,629 - meas_add_source_size: None
96
+ 2026-06-24 05:37:20,629 - meas_add_detector_blur: None
97
+ 2026-06-24 05:37:20,629 - meas_remove_neg_values: {'mode': 'clip_neg', 'value': None, 'force': False}
98
+ 2026-06-24 05:37:20,630 - meas_normalization: {'mode': 'max_at_one', 'value': None}
99
+ 2026-06-24 05:37:20,630 - meas_add_poisson_noise: None
100
+ 2026-06-24 05:37:20,630 - meas_export: None
101
+ 2026-06-24 05:37:20,630 - probe_permute: None
102
+ 2026-06-24 05:37:20,630 - probe_z_shift: None
103
+ 2026-06-24 05:37:20,630 - probe_normalization: {'mode': 'mean_total_ints', 'value': None}
104
+ 2026-06-24 05:37:20,630 - pos_scan_flipT: None
105
+ 2026-06-24 05:37:20,630 - pos_scan_affine: None
106
+ 2026-06-24 05:37:20,630 - pos_scan_rand_std: 0.15
107
+ 2026-06-24 05:37:20,630 - obj_z_crop: None
108
+ 2026-06-24 05:37:20,630 - obj_z_pad: None
109
+ 2026-06-24 05:37:20,630 - obj_z_resample: None
110
+ 2026-06-24 05:37:20,630 - meas_source: file
111
+ 2026-06-24 05:37:20,630 - meas_params: {'path': '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000013_measurement.h5', 'key': 'measurement', 'shape': None, 'offset': None, 'gap': None, 'selection': None, 'zarr_kwargs': None}
112
+ 2026-06-24 05:37:20,630 - probe_source: simu
113
+ 2026-06-24 05:37:20,630 - probe_params: None
114
+ 2026-06-24 05:37:20,630 - pos_source: simu
115
+ 2026-06-24 05:37:20,630 - pos_params: None
116
+ 2026-06-24 05:37:20,630 - obj_source: simu
117
+ 2026-06-24 05:37:20,630 - obj_params: None
118
+ 2026-06-24 05:37:20,630 - tilt_source: simu
119
+ 2026-06-24 05:37:20,630 - tilt_params: {'tilt_type': 'all', 'init_tilts': [[0, 0]]}
120
+ 2026-06-24 05:37:20,630 -
121
+ 2026-06-24 05:37:20,630 - ### Initializing cache ###
122
+ 2026-06-24 05:37:20,630 - use_cached_obj = False
123
+ 2026-06-24 05:37:20,630 - use_cached_probe = False
124
+ 2026-06-24 05:37:20,630 - use_cached_pos = False
125
+ 2026-06-24 05:37:20,630 -
126
+ 2026-06-24 05:37:20,630 - ### Initializing measurements ###
127
+ 2026-06-24 05:37:20,630 - Loading measurements from source = 'file'
128
+ 2026-06-24 05:37:20,630 - Detected measurement file type = '.h5'
129
+ 2026-06-24 05:37:20,706 - Original measurements dtype is float32, casting to float32 (single precision) for computational efficiency.
130
+ 2026-06-24 05:37:20,706 - Imported meausrements shape / dtype = (16, 16, 128, 128), dtype = float32
131
+ 2026-06-24 05:37:20,708 - Imported meausrements int. statistics (min, mean, max) = (0.0000, 0.0001, 0.0047)
132
+ 2026-06-24 05:37:20,708 - Reshaping measurements to shape = [256, 128, 128]
133
+ 2026-06-24 05:37:20,708 - Flipping measurements with [flipud, fliplr, transpose] = [0, 0, 0]
134
+ 2026-06-24 05:37:20,709 - No negative values found in measurements. Skipping non-neg correction.
135
+ 2026-06-24 05:37:20,709 - Normalizing measurements with mode = 'max_at_one' and value = 'None'
136
+ 2026-06-24 05:37:20,710 - Normalizing by max of the 2D mean pattern intensity: 0.0029769363
137
+ 2026-06-24 05:37:20,710 - meausrements shape / dtype = (256, 128, 128), dtype = float32
138
+ 2026-06-24 05:37:20,712 - meausrements int. statistics (min, mean, max) = (0.0000, 0.0204, 1.5802)
139
+ 2026-06-24 05:37:20,712 - No negative values found in measurements. Skipping non-neg correction.
140
+ 2026-06-24 05:37:20,713 - Pattern total int. statistics (min, mean, max) = (327.9684, 334.6317, 339.9153), with min/max = 96.5%
141
+ 2026-06-24 05:37:20,715 - Global meausrements int. statistics (min, mean, max) = (0.0000, 0.0204, 1.5802)
142
+ 2026-06-24 05:37:20,715 - measurements (N, Ky, Kx) = float32, (256, 128, 128)
143
+ 2026-06-24 05:37:20,715 -
144
+ 2026-06-24 05:37:20,715 - ### Setting up calibration ###
145
+ 2026-06-24 05:37:20,715 - meas_calibration mode = 'kMax', value = 2.5
146
+ 2026-06-24 05:37:20,715 - Using loaded raw averaged measurement (before crop/pad/resample) to fit RBF as a part of the meas calibration
147
+ 2026-06-24 05:37:20,715 - Radius of fitted bright field disk (RBF) = 9.84 px with meas_Npix = 128
148
+ 2026-06-24 05:37:20,715 - Suggested probe_mask_k radius (RBF*2/Npix) > 0.1537
149
+ 2026-06-24 05:37:20,715 - Fitting raw averaged measurement with center, radius, and Gaussian blur std as a sanity check
150
+ 2026-06-24 05:37:20,715 - Note that the fitted Gaussian blur std (detector blur) would be affected by overlapping Bragg disks
151
+ 2026-06-24 05:37:20,934 - Initial guess: center=(63.61, 63.64), radius=9.84, Gaussian blur std=0.50
152
+ 2026-06-24 05:37:20,949 - Final fit: center=(63.61, 63.64), radius=9.84, Gaussian blur std=0.70
153
+ 2026-06-24 05:37:20,949 - Using init_params, the inferred RBF (conv_angle / 1e3 * Npix * dx / wavelength) = 9.88 px with Npix = 128
154
+ 2026-06-24 05:37:20,949 - dx (real space pixel size of probe and object) set to 0.2000 Ang with Npix = 128
155
+ 2026-06-24 05:37:20,949 -
156
+ 2026-06-24 05:37:20,949 - ### Setting init_variables dict ###
157
+ 2026-06-24 05:37:20,949 - Derived values given input init_params:
158
+ 2026-06-24 05:37:20,949 - kv = 80.0 kV
159
+ 2026-06-24 05:37:20,949 - wavelength = 0.0418 Ang
160
+ 2026-06-24 05:37:20,949 - conv_angle = 16.1203670501709 mrad
161
+ 2026-06-24 05:37:20,949 - Npix = 128 px
162
+ 2026-06-24 05:37:20,949 - dk = 0.0391 Ang^-1
163
+ 2026-06-24 05:37:20,949 - kMax = 2.5000 Ang^-1
164
+ 2026-06-24 05:37:20,949 - da = 1.6311 mrad
165
+ 2026-06-24 05:37:20,950 - angleMax = 104.3929 mrad
166
+ 2026-06-24 05:37:20,950 - RBF = 9.8829 px (Inferred from the given calibration, NOT necessarily from the loaded measurement data)
167
+ 2026-06-24 05:37:20,950 - n_alpha = 6.4758 (# conv_angle)
168
+ 2026-06-24 05:37:20,950 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
169
+ 2026-06-24 05:37:20,950 - Rayleigh-limited resolution = 1.5801 Ang (0.61*lambda/alpha for focused probe )
170
+ 2026-06-24 05:37:20,950 - Real space probe extent = 25.6000 Ang
171
+ 2026-06-24 05:37:20,950 -
172
+ 2026-06-24 05:37:20,950 - ### Initializing probe ###
173
+ 2026-06-24 05:37:20,950 - Loading probe from source = 'simu'
174
+ 2026-06-24 05:37:20,950 - Using experimental parameters specified by 'init_params' for initial probe simulation.
175
+ 2026-06-24 05:37:20,950 - Start simulating STEM probe
176
+ 2026-06-24 05:37:20,950 - kv = 80.0 kV
177
+ 2026-06-24 05:37:20,950 - wavelength = 0.0418 Ang
178
+ 2026-06-24 05:37:20,950 - conv_angle = 16.1203670501709 mrad
179
+ 2026-06-24 05:37:20,950 - Npix = 128 px
180
+ 2026-06-24 05:37:20,950 - dk = 0.0391 Ang^-1
181
+ 2026-06-24 05:37:20,950 - kMax = 2.5000 Ang^-1
182
+ 2026-06-24 05:37:20,950 - alpha_max = 104.3929 mrad
183
+ 2026-06-24 05:37:20,950 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
184
+ 2026-06-24 05:37:20,950 - Rayleigh-limited resolution = 1.5801 Ang (0.61*lambda/alpha for focused probe )
185
+ 2026-06-24 05:37:20,950 - Real space probe extent = 25.6000 Ang
186
+ 2026-06-24 05:37:20,950 - Krivanek Haider Magnitude Angle (°) Description
187
+ 2026-06-24 05:37:20,950 - -------------------------------------------------------------------------------------
188
+ 2026-06-24 05:37:20,950 - C1,0 C1 -560.0770 - Defocus (C10 = -df)
189
+ 2026-06-24 05:37:20,951 - C1,2 A1 35.3260 330.62 2-fold astigmatism
190
+ 2026-06-24 05:37:20,951 - C2,1 3*B2 809.9860 130.58 Axial coma
191
+ 2026-06-24 05:37:20,951 - C2,3 A2 -494.8130 41.65 3-fold astigmatism
192
+ 2026-06-24 05:37:20,951 - C3,0 C3 3962327.7500 - Spherical aberration
193
+ 2026-06-24 05:37:20,951 - C3,2 4*S3 -7056.4340 211.29 Axial star aberration
194
+ 2026-06-24 05:37:20,951 - C3,4 A3 -5681.4410 145.41 4-fold astigmatism
195
+ 2026-06-24 05:37:20,951 - C4,1 4*B4 -223541.4060 123.52 Axial coma(4th)
196
+ 2026-06-24 05:37:20,951 - C4,3 4*D4 129071.1480 245.66 3-lobe aberration
197
+ 2026-06-24 05:37:20,951 - C4,5 A4 124501.6330 192.59 5-fold astigmatism
198
+ 2026-06-24 05:37:20,951 - C5,0 C5 -174077264.0000 - Spherical aberration (5th)
199
+ 2026-06-24 05:37:20,951 - C5,2 6*S5 -7003224.5000 181.20 Axial star aberration(5th)
200
+ 2026-06-24 05:37:20,951 - C5,4 6*R5 9173544.0000 199.83 4-lobe aberration
201
+ 2026-06-24 05:37:20,951 - C5,6 A5 11069104.0000 12.62 6-fold astigmatism
202
+ 2026-06-24 05:37:20,954 - Loaded probe shape = (1, 128, 128), dtype = complex128
203
+ 2026-06-24 05:37:20,954 - pmode_now: 1 and pmode_max: 6, padding the pmode.
204
+ 2026-06-24 05:37:20,954 - Creating 5 new probe modes from the major mode
205
+ 2026-06-24 05:37:20,954 - Start making mixed-state STEM probe with 6 incoherent probe modes
206
+ 2026-06-24 05:37:21,050 - Relative power of probe modes = [0.9 0.02 0.02 0.02 0.02 0.02]
207
+ 2026-06-24 05:37:21,051 - Orthogonalizing 6 pmodes
208
+ 2026-06-24 05:37:21,053 - Sorting 6 pmodes by their intensities
209
+ 2026-06-24 05:37:21,054 - Normalizing probe intensity with mode = 'mean_total_ints' and value = 'None'
210
+ 2026-06-24 05:37:21,054 - sum(|probe_data|**2) = 334.63, while meas_total_ints (min, mean, max) = (327.9684, 334.6317, 339.9153)
211
+ 2026-06-24 05:37:21,055 - probe (pmode, Ny, Nx) = complex64, (6, 128, 128)
212
+ 2026-06-24 05:37:21,055 -
213
+ 2026-06-24 05:37:21,055 - ### Initializing probe positions ###
214
+ 2026-06-24 05:37:21,055 - Loading probe positions from source = 'simu'
215
+ 2026-06-24 05:37:21,055 - Using experimental parameters specified by 'init_params' (dx, scan_step size, N_scan_slow, N_scan_fast) for initial position simulation.
216
+ 2026-06-24 05:37:21,055 - Simulating probe positions with dx = 0.2000, scan_step_size = 0.3612, N_scan_fast = 16, N_scan_slow = 16
217
+ 2026-06-24 05:37:21,055 - Applying Gaussian distributed random displacement with std = 0.15 px to scan positions
218
+ 2026-06-24 05:37:21,057 - crop_pos (N,2) = int16, (256, 2)
219
+ 2026-06-24 05:37:21,057 - crop_pos 1st and last px coords (y,x) = ([15, 15], [43, 43])
220
+ 2026-06-24 05:37:21,057 - crop_pos extent (Ang) = [5.6 5.6]
221
+ 2026-06-24 05:37:21,057 - probe_pos_shifts (N,2) = float32, (256, 2)
222
+ 2026-06-24 05:37:21,057 -
223
+ 2026-06-24 05:37:21,057 - ### Initializing object ###
224
+ 2026-06-24 05:37:21,057 - Loading object from source = 'simu'
225
+ 2026-06-24 05:37:21,057 - Using experimental parameters specified by 'init_params' for initial object simulation.
226
+ 2026-06-24 05:37:21,059 - omode_now: 1 and omode_max: 1, leaving the omode unchanged.
227
+ 2026-06-24 05:37:21,059 - object (omode, Nz, Ny, Nx) = complex64, (1, 1, 187, 187)
228
+ 2026-06-24 05:37:21,059 - object extent (Z, Y, X) (Ang) = [20. 37.4 37.4]
229
+ 2026-06-24 05:37:21,059 -
230
+ 2026-06-24 05:37:21,059 - ### Initializing omode_occu from 'uniform' ###
231
+ 2026-06-24 05:37:21,059 - omode_occu (omode) = float32, (1,)
232
+ 2026-06-24 05:37:21,059 -
233
+ 2026-06-24 05:37:21,059 - ### Initializing H (Fresnel propagator) ###
234
+ 2026-06-24 05:37:21,059 - Calculating H with probe_shape = (128, 128) px, dx = 0.2000 Ang, slice_thickness = 20.0000 Ang, lambd = 0.0418 Ang
235
+ 2026-06-24 05:37:21,060 - H (Ky, Kx) = complex64, (128, 128)
236
+ 2026-06-24 05:37:21,060 -
237
+ 2026-06-24 05:37:21,060 - ### Initializing obj tilts from = 'simu' ###
238
+ 2026-06-24 05:37:21,060 - Initialized obj_tilts with init_tilts = [[0, 0]] (theta_y, theta_x) mrad
239
+ 2026-06-24 05:37:21,060 - obj_tilts (N, 2) = float32, (1, 2)
240
+ 2026-06-24 05:37:21,060 -
241
+ 2026-06-24 05:37:21,060 - ### Checking consistency between input params with the initialized variables ###
242
+ 2026-06-24 05:37:21,060 - meas_Npix, simu_Npix, DP measurements, probe, and H shapes are consistent as '128'
243
+ 2026-06-24 05:37:21,060 - N_scans, len(meas), N_scan_slow*N_scan_fast, len(crop_pos), and len(probe_pos_shifts) are consistent as '256'
244
+ 2026-06-24 05:37:21,060 - obj.shape[0] is consistent with len(omode_occu) as '1'
245
+ 2026-06-24 05:37:21,060 - obj.shape[1] is consistent with Nlayer as '1'
246
+ 2026-06-24 05:37:21,060 - crop positions (yx_min=[15 15], yx_max=[171 171]) are well contained inside object canvas (Ny,Nx) = (187, 187).
247
+ 2026-06-24 05:37:21,060 - obj_tilts is consistent with either 1 or N_scans
248
+ 2026-06-24 05:37:21,060 - Pass the consistency check of initialized variables, initialization is done!
249
+ 2026-06-24 05:37:21,060 -
250
+ 2026-06-24 05:37:21,061 - ### Collecting reconstruction provenance ###
251
+ 2026-06-24 05:37:21,061 - Reconstruction provenance is collected and initialized.
252
+ 2026-06-24 05:37:21,061 -
253
+ 2026-06-24 05:37:21,061 - ### Initializing loss function ###
254
+ 2026-06-24 05:37:21,061 - Active loss types:
255
+ 2026-06-24 05:37:21,061 - loss_single : {'state': True, 'weight': 1.0, 'dp_pow': 0.5}
256
+ 2026-06-24 05:37:21,061 -
257
+ 2026-06-24 05:37:21,061 - ### Initializing constraint function ###
258
+ 2026-06-24 05:37:21,061 - Active constraint types:
259
+ 2026-06-24 05:37:21,061 - ortho_pmode : {'start_iter': 1, 'step': 1, 'end_iter': None}
260
+ 2026-06-24 05:37:21,061 - fix_probe_int : {'start_iter': 1, 'step': 1, 'end_iter': None}
261
+ 2026-06-24 05:37:21,061 - obj_zblur : {'start_iter': 1, 'step': 1, 'end_iter': None, 'obj_type': 'both', 'kernel_size': 5, 'std': 1.0}
262
+ 2026-06-24 05:37:21,061 - obja_thresh : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0, 'thresh': [0.96, 1.04]}
263
+ 2026-06-24 05:37:21,061 - pos_recenter : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0}
264
+ 2026-06-24 05:37:21,061 -
265
+ 2026-06-24 05:37:21,061 - ### Done initializing PtyRADSolver ###
266
+ 2026-06-24 05:37:21,061 -
267
+ 2026-06-24 05:37:21,185 - ### Starting the PtyRADSolver in reconstruct mode ###
268
+ 2026-06-24 05:37:21,185 -
269
+ 2026-06-24 05:37:21,185 - ### Initializing PtychoModel model ###
270
+ 2026-06-24 05:37:21,268 - ### PtychoModel optimizable variables ###
271
+ 2026-06-24 05:37:21,268 - obja : torch.Size([1, 1, 187, 187]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
272
+ 2026-06-24 05:37:21,268 - objp : torch.Size([1, 1, 187, 187]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
273
+ 2026-06-24 05:37:21,268 - obj_tilts : torch.Size([1, 2]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
274
+ 2026-06-24 05:37:21,268 - slice_thickness : torch.Size([]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
275
+ 2026-06-24 05:37:21,268 - probe : torch.Size([6, 128, 128, 2]) , torch.float32 , device:cuda:0, grad:True , lr:1e-04
276
+ 2026-06-24 05:37:21,268 - probe_pos_shifts: torch.Size([256, 2]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
277
+ 2026-06-24 05:37:21,268 -
278
+ 2026-06-24 05:37:21,268 - ### Optimizable variables statitsics ###
279
+ 2026-06-24 05:37:21,268 - Total measurement values : 4,194,304
280
+ 2026-06-24 05:37:21,268 - Total optimizing variables: 267,058
281
+ 2026-06-24 05:37:21,268 - Overdetermined ratio : 15.71
282
+ 2026-06-24 05:37:21,268 -
283
+ 2026-06-24 05:37:21,268 - ### Model behavior ###
284
+ 2026-06-24 05:37:21,268 - Tilt propagator : False
285
+ 2026-06-24 05:37:21,268 - Change slice thickness : False
286
+ 2026-06-24 05:37:21,268 - Detector blur : False
287
+ 2026-06-24 05:37:21,268 - Preload data : True
288
+ 2026-06-24 05:37:21,268 - On-the-fly meas padding : False
289
+ 2026-06-24 05:37:21,268 - On-the-fly meas resample : False
290
+ 2026-06-24 05:37:21,269 - On-the-fly simu match mode: None
291
+ 2026-06-24 05:37:21,269 -
292
+ 2026-06-24 05:37:21,310 - ### Done initializing PtychoModel model ###
293
+ 2026-06-24 05:37:21,310 -
294
+ 2026-06-24 05:37:21,310 - ### Creating PyTorch 'Adam' optimizer with configs = {} ###
295
+ 2026-06-24 05:37:21,310 -
296
+ 2026-06-24 05:37:21,310 - ### Generating indices, batches, and output_path ###
297
+ 2026-06-24 05:37:21,312 - d90 = 49.000 px or 9.800 Ang
298
+ 2026-06-24 05:37:21,312 - Selecting indices with the 'full' mode
299
+ 2026-06-24 05:37:21,771 - Generated 8 'random' groups of ~32 scan positions in 0.000 sec
300
+ 2026-06-24 05:37:21,846 - The effective batch size (i.e., how many probe positions are simultaneously used for 1 update of ptychographic parameters) is batch_size * grad_accumulation = 32 * 1 = 32
301
+ 2026-06-24 05:37:21,847 - Original recon_dir_affixes = ['default']
302
+ 2026-06-24 05:37:21,847 - Expanded recon_dir_affixes = ['indices', 'meas', 'batch', 'pmode', 'omode', 'nlayer', 'lr', 'model', 'constraint', 'loss', 'affine', 'tilt', 'aberrations']
303
+ 2026-06-24 05:37:21,853 - Path corrected for compatibility:
304
+ 2026-06-24 05:37:21,853 - Original: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000013/c30_small__simulation_data1__sample_000013_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-560_C12_35.3_phi12_331_C21_810_phi21_131_C23_-495_phi23_41.6_C30_3.96e+06_C32_-7.06e+03_phi32_211_C34_-5.68e+03_phi34_145_C41_-2.24e+05_phi41_124_C43_1.29e+05_phi43_246_C45_1.25e+05_phi45_193_C50_-1.74e+08_C52_-7e+06_phi52_181_C54_9.17e+06_phi54_200_C56_1.11e+07_phi56_12.6
305
+ 2026-06-24 05:37:21,853 - Corrected: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000013/c30_small__simulation_data1__sample_000013_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-560_C12_35.3_phi12_331_C21_810_phi21_131_C23_-495_phi23_41.6_C30_3.96e+06_C32_-7.06e+03_phi32_2.6
306
+ 2026-06-24 05:37:21,854 - output_path = '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000013/c30_small__simulation_data1__sample_000013_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-560_C12_35.3_phi12_331_C21_810_phi21_131_C23_-495_phi23_41.6_C30_3.96e+06_C32_-7.06e+03_phi32_2.6' is generated!
307
+ 2026-06-24 05:37:22,001 -
308
+ 2026-06-24 05:37:22,002 - ### Log file is flushed (created) as /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000013/c30_small__simulation_data1__sample_000013_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-560_C12_35.3_phi12_331_C21_810_phi21_131_C23_-495_phi23_41.6_C30_3.96e+06_C32_-7.06e+03_phi32_2.6/20260624_053722_ptyrad_log.txt ###
309
+ 2026-06-24 05:37:22,002 -
310
+ 2026-06-24 05:37:22,003 - ### Creating ConvergenceMonitor with {'tensors': ['obja', 'objp', 'probe', 'probe_pos_shifts'], 'every_n_iters': None, 'percentile_range': [15.0, 85.0]} ###
311
+ 2026-06-24 05:37:22,003 - ### Start the PtyRAD iterative ptycho reconstruction ###
312
+ 2026-06-24 05:37:22,003 - Setting up PyTorch compiler with {'fullgraph': False, 'dynamic': None, 'backend': 'inductor', 'mode': 'default', 'options': None, 'disable': True}
313
+ 2026-06-24 05:37:23,194 - Iter: 1, Total Loss: 1.1104, loss_single: 1.1104, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.435 sec
314
+ 2026-06-24 05:37:23,231 - Iter: 2, Total Loss: 1.0764, loss_single: 1.0764, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
315
+ 2026-06-24 05:37:23,267 - Iter: 3, Total Loss: 1.0504, loss_single: 1.0504, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
316
+ 2026-06-24 05:37:23,302 - Iter: 4, Total Loss: 1.0240, loss_single: 1.0240, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
317
+ 2026-06-24 05:37:23,337 - Iter: 5, Total Loss: 0.9998, loss_single: 0.9998, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
318
+ 2026-06-24 05:37:23,372 - Iter: 6, Total Loss: 0.9790, loss_single: 0.9790, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
319
+ 2026-06-24 05:37:23,408 - Iter: 7, Total Loss: 0.9556, loss_single: 0.9556, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
320
+ 2026-06-24 05:37:23,444 - Iter: 8, Total Loss: 0.9310, loss_single: 0.9310, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
321
+ 2026-06-24 05:37:23,479 - Iter: 9, Total Loss: 0.9070, loss_single: 0.9070, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
322
+ 2026-06-24 05:37:23,515 - Iter: 10, Total Loss: 0.8827, loss_single: 0.8827, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
323
+ 2026-06-24 05:37:23,550 - Iter: 11, Total Loss: 0.8608, loss_single: 0.8608, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
324
+ 2026-06-24 05:37:23,585 - Iter: 12, Total Loss: 0.8432, loss_single: 0.8432, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,620 - Iter: 13, Total Loss: 0.8253, loss_single: 0.8253, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,655 - Iter: 14, Total Loss: 0.8073, loss_single: 0.8073, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,691 - Iter: 15, Total Loss: 0.7904, loss_single: 0.7904, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,727 - Iter: 16, Total Loss: 0.7702, loss_single: 0.7702, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,762 - Iter: 17, Total Loss: 0.7521, loss_single: 0.7521, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,798 - Iter: 18, Total Loss: 0.7381, loss_single: 0.7381, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,833 - Iter: 19, Total Loss: 0.7238, loss_single: 0.7238, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,869 - Iter: 20, Total Loss: 0.7099, loss_single: 0.7099, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,904 - Iter: 21, Total Loss: 0.6969, loss_single: 0.6969, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,939 - Iter: 22, Total Loss: 0.6858, loss_single: 0.6858, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:23,975 - Iter: 23, Total Loss: 0.6741, loss_single: 0.6741, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:37:24,010 - Iter: 24, Total Loss: 0.6619, loss_single: 0.6619, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:37:24,045 - Iter: 25, Total Loss: 0.6503, loss_single: 0.6503, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,081 - Iter: 26, Total Loss: 0.6399, loss_single: 0.6399, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,116 - Iter: 27, Total Loss: 0.6320, loss_single: 0.6320, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.034 sec
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+ 2026-06-24 05:37:24,151 - Iter: 28, Total Loss: 0.6250, loss_single: 0.6250, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,187 - Iter: 29, Total Loss: 0.6170, loss_single: 0.6170, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,222 - Iter: 30, Total Loss: 0.6096, loss_single: 0.6096, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,257 - Iter: 31, Total Loss: 0.6029, loss_single: 0.6029, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,296 - Iter: 32, Total Loss: 0.5957, loss_single: 0.5957, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.038 sec
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+ 2026-06-24 05:37:24,332 - Iter: 33, Total Loss: 0.5903, loss_single: 0.5903, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,367 - Iter: 34, Total Loss: 0.5861, loss_single: 0.5861, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,402 - Iter: 35, Total Loss: 0.5811, loss_single: 0.5811, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,437 - Iter: 36, Total Loss: 0.5764, loss_single: 0.5764, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,473 - Iter: 37, Total Loss: 0.5724, loss_single: 0.5724, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,509 - Iter: 38, Total Loss: 0.5688, loss_single: 0.5688, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:37:24,544 - Iter: 39, Total Loss: 0.5653, loss_single: 0.5653, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,579 - Iter: 40, Total Loss: 0.5618, loss_single: 0.5618, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,615 - Iter: 41, Total Loss: 0.5585, loss_single: 0.5585, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,651 - Iter: 42, Total Loss: 0.5560, loss_single: 0.5560, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,686 - Iter: 43, Total Loss: 0.5537, loss_single: 0.5537, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,721 - Iter: 44, Total Loss: 0.5512, loss_single: 0.5512, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,756 - Iter: 45, Total Loss: 0.5491, loss_single: 0.5491, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,792 - Iter: 46, Total Loss: 0.5474, loss_single: 0.5474, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,827 - Iter: 47, Total Loss: 0.5459, loss_single: 0.5459, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,862 - Iter: 48, Total Loss: 0.5444, loss_single: 0.5444, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,898 - Iter: 49, Total Loss: 0.5433, loss_single: 0.5433, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,933 - Iter: 50, Total Loss: 0.5426, loss_single: 0.5426, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:24,969 - Iter: 51, Total Loss: 0.5418, loss_single: 0.5418, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,004 - Iter: 52, Total Loss: 0.5410, loss_single: 0.5410, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,039 - Iter: 53, Total Loss: 0.5403, loss_single: 0.5403, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,075 - Iter: 54, Total Loss: 0.5397, loss_single: 0.5397, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,111 - Iter: 55, Total Loss: 0.5392, loss_single: 0.5392, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,146 - Iter: 56, Total Loss: 0.5387, loss_single: 0.5387, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,181 - Iter: 57, Total Loss: 0.5383, loss_single: 0.5383, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,216 - Iter: 58, Total Loss: 0.5379, loss_single: 0.5379, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,252 - Iter: 59, Total Loss: 0.5376, loss_single: 0.5376, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,287 - Iter: 60, Total Loss: 0.5373, loss_single: 0.5373, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,323 - Iter: 61, Total Loss: 0.5370, loss_single: 0.5370, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,358 - Iter: 62, Total Loss: 0.5367, loss_single: 0.5367, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,394 - Iter: 63, Total Loss: 0.5364, loss_single: 0.5364, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,429 - Iter: 64, Total Loss: 0.5361, loss_single: 0.5361, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,464 - Iter: 65, Total Loss: 0.5359, loss_single: 0.5359, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,499 - Iter: 66, Total Loss: 0.5357, loss_single: 0.5357, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,535 - Iter: 67, Total Loss: 0.5355, loss_single: 0.5355, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:37:25,571 - Iter: 68, Total Loss: 0.5353, loss_single: 0.5353, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,606 - Iter: 69, Total Loss: 0.5351, loss_single: 0.5351, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,641 - Iter: 70, Total Loss: 0.5349, loss_single: 0.5349, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,677 - Iter: 71, Total Loss: 0.5347, loss_single: 0.5347, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,712 - Iter: 72, Total Loss: 0.5346, loss_single: 0.5346, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,747 - Iter: 73, Total Loss: 0.5344, loss_single: 0.5344, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,783 - Iter: 74, Total Loss: 0.5342, loss_single: 0.5342, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,818 - Iter: 75, Total Loss: 0.5341, loss_single: 0.5341, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,853 - Iter: 76, Total Loss: 0.5339, loss_single: 0.5339, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,888 - Iter: 77, Total Loss: 0.5338, loss_single: 0.5338, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,924 - Iter: 78, Total Loss: 0.5337, loss_single: 0.5337, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,959 - Iter: 79, Total Loss: 0.5336, loss_single: 0.5336, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:25,995 - Iter: 80, Total Loss: 0.5334, loss_single: 0.5334, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,030 - Iter: 81, Total Loss: 0.5333, loss_single: 0.5333, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,065 - Iter: 82, Total Loss: 0.5332, loss_single: 0.5332, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,101 - Iter: 83, Total Loss: 0.5330, loss_single: 0.5330, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,136 - Iter: 84, Total Loss: 0.5329, loss_single: 0.5329, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,172 - Iter: 85, Total Loss: 0.5328, loss_single: 0.5328, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,208 - Iter: 86, Total Loss: 0.5327, loss_single: 0.5327, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:37:26,243 - Iter: 87, Total Loss: 0.5325, loss_single: 0.5325, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,278 - Iter: 88, Total Loss: 0.5324, loss_single: 0.5324, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,314 - Iter: 89, Total Loss: 0.5323, loss_single: 0.5323, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,349 - Iter: 90, Total Loss: 0.5322, loss_single: 0.5322, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,386 - Iter: 91, Total Loss: 0.5320, loss_single: 0.5320, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
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+ 2026-06-24 05:37:26,422 - Iter: 92, Total Loss: 0.5319, loss_single: 0.5319, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,457 - Iter: 93, Total Loss: 0.5318, loss_single: 0.5318, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,492 - Iter: 94, Total Loss: 0.5317, loss_single: 0.5317, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,527 - Iter: 95, Total Loss: 0.5316, loss_single: 0.5316, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,563 - Iter: 96, Total Loss: 0.5314, loss_single: 0.5314, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,598 - Iter: 97, Total Loss: 0.5313, loss_single: 0.5313, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,634 - Iter: 98, Total Loss: 0.5312, loss_single: 0.5312, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,669 - Iter: 99, Total Loss: 0.5310, loss_single: 0.5310, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,704 - Iter: 100, Total Loss: 0.5309, loss_single: 0.5309, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:37:26,814 - Saving summary figures for iter 100
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+ 2026-06-24 05:37:30,442 - ### Finished 100 iterations, averaged iter_t = 0.039031 with std = 0.040 ###
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+ 2026-06-24 05:37:30,443 -
416
+ 2026-06-24 05:37:30,443 - ### The PtyRADSolver is finished in 9.258 sec ###
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+ 2026-06-24 05:37:30,443 -
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000013/c30_small__simulation_data1__sample_000013_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-560_C12_35.3_phi12_331_C21_810_phi21_131_C23_-495_phi23_41.6_C30_3.96e+06_C32_-7.06e+03_phi32_2.6/objp_crop_08bit_iter0100.tif ADDED
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000013/c30_small__simulation_data1__sample_000013_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-560_C12_35.3_phi12_331_C21_810_phi21_131_C23_-495_phi23_41.6_C30_3.96e+06_C32_-7.06e+03_phi32_2.6/simulation_data1__sample_000013.yaml ADDED
@@ -0,0 +1,140 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ init_params:
2
+ probe_kv: 80.0
3
+ probe_conv_angle: 16.1203670501709
4
+ probe_aberrations:
5
+ C10: -560.0769653320312
6
+ C12: 35.326045989990234
7
+ C21: 809.986083984375
8
+ C23: -494.8126220703125
9
+ C30: 3962327.75
10
+ C32: -7056.43408203125
11
+ C34: -5681.44140625
12
+ C41: -223541.40625
13
+ C43: 129071.1484375
14
+ C45: 124501.6328125
15
+ C50: -174077264.0
16
+ C52: -7003224.5
17
+ C54: 9173544.0
18
+ C56: 11069104.0
19
+ phi12: 330.6234483599579
20
+ phi21: 130.5769337596625
21
+ phi23: 41.64716725661196
22
+ phi32: 211.29175171018272
23
+ phi34: 145.4065858440808
24
+ phi41: 123.51869823364135
25
+ phi43: 245.65630489634944
26
+ phi45: 192.58945066825885
27
+ phi52: 181.19882615169863
28
+ phi54: 199.83397277370292
29
+ phi56: 12.622103355045292
30
+ meas_Npix: 128
31
+ pos_N_scan_slow: 16
32
+ pos_N_scan_fast: 16
33
+ pos_scan_step_size: 0.361175537109375
34
+ probe_pmode_max: 6
35
+ obj_Nlayer: 1
36
+ obj_slice_thickness: 20.0
37
+ meas_permute: null
38
+ meas_reshape:
39
+ - 256
40
+ - 128
41
+ - 128
42
+ meas_flipT:
43
+ - 0
44
+ - 0
45
+ - 0
46
+ meas_crop: null
47
+ meas_pad: null
48
+ meas_resample: null
49
+ pos_scan_affine: null
50
+ meas_params:
51
+ path: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000013_measurement.h5
52
+ key: measurement
53
+ random_seed: 20261857
54
+ obj_omode_max: 1
55
+ meas_calibration:
56
+ mode: kMax
57
+ value: 2.5
58
+ model_params:
59
+ detector_blur_std: null
60
+ update_params:
61
+ obja:
62
+ start_iter: 1
63
+ lr: 0.0005
64
+ end_iter: null
65
+ objp:
66
+ start_iter: 1
67
+ lr: 0.0005
68
+ end_iter: null
69
+ probe:
70
+ start_iter: 1
71
+ lr: 0.0001
72
+ end_iter: null
73
+ probe_pos_shifts:
74
+ start_iter: 1
75
+ lr: 0.0005
76
+ end_iter: null
77
+ loss_params:
78
+ loss_single:
79
+ state: true
80
+ weight: 1.0
81
+ dp_pow: 0.5
82
+ loss_poissn:
83
+ state: false
84
+ weight: 1.0
85
+ dp_pow: 1.0
86
+ eps: 1.0e-06
87
+ loss_sparse:
88
+ state: false
89
+ weight: 0.1
90
+ ln_order: 1
91
+ constraint_params:
92
+ ortho_pmode:
93
+ start_iter: 1
94
+ step: 1
95
+ end_iter: null
96
+ fix_probe_int:
97
+ start_iter: 1
98
+ step: 1
99
+ end_iter: null
100
+ obj_rblur:
101
+ start_iter: null
102
+ step: 1
103
+ end_iter: null
104
+ obj_type: both
105
+ kernel_size: 5
106
+ std: 0.4
107
+ obj_zblur:
108
+ start_iter: 1
109
+ step: 1
110
+ end_iter: null
111
+ obj_type: both
112
+ kernel_size: 5
113
+ std: 1
114
+ obja_thresh:
115
+ start_iter: 1
116
+ step: 1
117
+ end_iter: null
118
+ relax: 0
119
+ thresh:
120
+ - 0.96
121
+ - 1.04
122
+ objp_postiv:
123
+ start_iter: null
124
+ step: 1
125
+ end_iter: null
126
+ relax: 0
127
+ recon_params:
128
+ NITER: 100
129
+ BATCH_SIZE:
130
+ size: 32
131
+ grad_accumulation: 1
132
+ SAVE_ITERS: 100
133
+ output_dir: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000013
134
+ recon_dir_affixes:
135
+ - default
136
+ prefix: c30_small__simulation_data1__sample_000013
137
+ postfix: ''
138
+ compiler_configs:
139
+ enable: false
140
+ prefix_time: false
ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000016/c30_small__simulation_data1__sample_000016_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-644_C12_-38.8_phi12_109_C21_-35.9_phi21_346_C23_643_phi23_271_C30_1.46e+06_C32_4.66e+07_phi56_303/20260624_053806_ptyrad_log.txt ADDED
@@ -0,0 +1,417 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2026-06-24 05:38:04,925 - ### PtyRAD LoggingManager configuration ###
2
+ 2026-06-24 05:38:04,925 - log_file = 'ptyrad_log.txt'. If log_file = None, no log file will be created.
3
+ 2026-06-24 05:38:04,925 - log_dir = 'auto'. If log_dir = 'auto', then log will be saved to `output_path` or 'logs/'.
4
+ 2026-06-24 05:38:04,925 - flush_file = True. Automatically set to True if `log_file is not None`
5
+ 2026-06-24 05:38:04,925 - prefix_time = datetime. If true, preset strings ('date', 'time', 'datetime'), or a string of time format, a datetime str is prefixed to the `log_file`.
6
+ 2026-06-24 05:38:04,925 - prefix_jobid = '0'. If not 0, it'll be prefixed to the log file. This is used for hypertune mode with multiple GPUs.
7
+ 2026-06-24 05:38:04,925 - append_to_file = True. If true, logs will be appended to the existing file. If false, the log file will be overwritten.
8
+ 2026-06-24 05:38:04,925 - show_timestamp = True. If true, the printed information will contain a timestamp.
9
+ 2026-06-24 05:38:04,925 -
10
+ 2026-06-24 05:38:05,031 - ### Initializing HuggingFace accelerator ###
11
+ 2026-06-24 05:38:05,031 - Accelerator.distributed_type = DistributedType.NO
12
+ 2026-06-24 05:38:05,031 - Accelerator.num_process = 1
13
+ 2026-06-24 05:38:05,031 - Accelerator.mixed_precision = no
14
+ 2026-06-24 05:38:05,054 - 'accelerate' is available but NOT using distributed mode or mixed precision
15
+ 2026-06-24 05:38:05,054 - If you want to utilize 'accelerate' for multiGPU or mixed precision,
16
+ 2026-06-24 05:38:05,054 - Run `accelerate launch --multi_gpu --num_processes=2 --mixed_precision='no' -m ptyrad run <PTYRAD_ARGUMENTS> --gpuid 'acc'` in your terminal
17
+ 2026-06-24 05:38:05,054 -
18
+ 2026-06-24 05:38:05,054 - ### System information ###
19
+ 2026-06-24 05:38:05,054 - Platform: Linux-4.18.0-553.69.1.el8_10.x86_64-x86_64-with-glibc2.28
20
+ 2026-06-24 05:38:05,054 - Operating System: Linux 4.18.0-553.69.1.el8_10.x86_64
21
+ 2026-06-24 05:38:05,054 - OS Version: #1 SMP Thu Aug 7 18:10:00 EDT 2025
22
+ 2026-06-24 05:38:05,054 - Machine: x86_64
23
+ 2026-06-24 05:38:05,054 - Processor: x86_64
24
+ 2026-06-24 05:38:05,054 - Available CPU cores: 8
25
+ 2026-06-24 05:38:05,054 - SLURM-Allocated Total Memory: 78.12 GB
26
+ 2026-06-24 05:38:05,054 -
27
+ 2026-06-24 05:38:05,054 - ### GPU information ###
28
+ 2026-06-24 05:38:05,054 - CUDA Available: True
29
+ 2026-06-24 05:38:05,054 - CUDA Version: 13.0
30
+ 2026-06-24 05:38:05,055 - Available CUDA GPUs: ['NVIDIA A100 80GB PCIe']
31
+ 2026-06-24 05:38:05,055 - CUDA Compute Capability: ['8.0']
32
+ 2026-06-24 05:38:05,055 - INFO: For torch.compile with Triton, you'll need CUDA GPU with Compute Capability >= 7.0.
33
+ 2026-06-24 05:38:05,055 - In addition, Triton does not directly support Windows.
34
+ 2026-06-24 05:38:05,055 - For Windows users, please follow the instruction and download `triton-windows` from https://github.com/woct0rdho/triton-windows.
35
+ 2026-06-24 05:38:05,070 - MIG (Multi-Instance GPU) mode = False
36
+ 2026-06-24 05:38:05,070 - INFO: MIG splits a physical GPU into multiple GPU slices, but multiGPU does not support these MIG slices.
37
+ 2026-06-24 05:38:05,070 - In addition, multiGPU is currently only available on Linux due to the limited NCCL support.
38
+ 2026-06-24 05:38:05,070 - -> If you're doing normal reconstruction/hypertune, you can safely ignore this.
39
+ 2026-06-24 05:38:05,070 - -> If you want to do multiGPU, you must provide multiple 'full' GPUs that are not in MIG mode.
40
+ 2026-06-24 05:38:05,070 -
41
+ 2026-06-24 05:38:05,070 - ### Python information ###
42
+ 2026-06-24 05:38:05,071 - Python Executable: /home/tnguye11/anaconda3/envs/ptyrad/bin/python3.12
43
+ 2026-06-24 05:38:05,071 - Python Version: 3.12.13 | packaged by Anaconda, Inc. | (main, Mar 19 2026, 20:20:58) [GCC 14.3.0]
44
+ 2026-06-24 05:38:05,071 -
45
+ 2026-06-24 05:38:05,071 - ### Packages information ###
46
+ 2026-06-24 05:38:05,072 - Numpy Version (metadata): 2.4.6
47
+ 2026-06-24 05:38:05,073 - PyTorch Version (metadata): 2.12.0
48
+ 2026-06-24 05:38:05,073 - Optuna Version (metadata): 4.9.0
49
+ 2026-06-24 05:38:05,074 - Accelerate Version (metadata): 1.13.0
50
+ 2026-06-24 05:38:05,074 - PtyRAD Version (ptyrad/__init__.py): 1.0.0
51
+ 2026-06-24 05:38:05,074 - PtyRAD is located at: /home/tnguye11/anaconda3/envs/ptyrad/lib/python3.12/site-packages/ptyrad/__init__.py
52
+ 2026-06-24 05:38:05,074 -
53
+ 2026-06-24 05:38:05,074 - ### Loading params file ###
54
+ 2026-06-24 05:38:05,075 - params_path = /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/params/c30_small/simulation_data1__sample_000016.yaml
55
+ 2026-06-24 05:38:05,081 - validate = True: Filling defaults and validating the params file...
56
+ 2026-06-24 05:38:05,082 - Success! Params file validated and defaults applied.
57
+ 2026-06-24 05:38:05,082 -
58
+ 2026-06-24 05:38:05,082 - ### Setting GPU Device ###
59
+ 2026-06-24 05:38:05,082 - Selected GPU device: cuda:0 (NVIDIA A100 80GB PCIe)
60
+ 2026-06-24 05:38:05,082 -
61
+ 2026-06-24 05:38:05,082 - Random seed: 20261860 provided by params file
62
+ 2026-06-24 05:38:05,082 - ### Initializing Initializer ###
63
+ 2026-06-24 05:38:05,082 - init_params are displayed below:
64
+ 2026-06-24 05:38:05,083 - random_seed: 20261860
65
+ 2026-06-24 05:38:05,083 - probe_illum_type: electron
66
+ 2026-06-24 05:38:05,083 - probe_kv: 300.0
67
+ 2026-06-24 05:38:05,083 - probe_conv_angle: 10.52404499053955
68
+ 2026-06-24 05:38:05,083 - probe_aberrations: {'C10': -644.5, 'C12': -38.844, 'phi12': 109.382, 'C21': -35.942, 'phi21': 346.359, 'C23': 643.489, 'phi23': 270.924, 'C30': 1462981.375, 'C32': 4877.956, 'phi32': 147.219, 'C34': 393.031, 'phi34': 258.074, 'C41': -405787.281, 'phi41': 352.498, 'C43': -96929.461, 'phi43': 47.073, 'C45': 479755.188, 'phi45': 124.592, 'C50': 332991232.0, 'C52': -666431.125, 'phi52': 256.261, 'C54': 6416499.5, 'phi54': 101.013, 'C56': 16632105.0, 'phi56': 302.969}
69
+ 2026-06-24 05:38:05,083 - beam_kev: None
70
+ 2026-06-24 05:38:05,083 - probe_dRn: None
71
+ 2026-06-24 05:38:05,083 - probe_Rn: None
72
+ 2026-06-24 05:38:05,083 - probe_D_H: None
73
+ 2026-06-24 05:38:05,083 - probe_D_FZP: None
74
+ 2026-06-24 05:38:05,083 - probe_Ls: None
75
+ 2026-06-24 05:38:05,083 - meas_Npix: 128
76
+ 2026-06-24 05:38:05,083 - pos_N_scans: 256
77
+ 2026-06-24 05:38:05,083 - pos_N_scan_slow: 16
78
+ 2026-06-24 05:38:05,083 - pos_N_scan_fast: 16
79
+ 2026-06-24 05:38:05,083 - pos_scan_step_size: 0.41889888048171997
80
+ 2026-06-24 05:38:05,083 - meas_calibration: {'mode': 'kMax', 'value': 2.5}
81
+ 2026-06-24 05:38:05,083 - probe_pmode_max: 6
82
+ 2026-06-24 05:38:05,083 - probe_pmode_init_pows: [0.02]
83
+ 2026-06-24 05:38:05,083 - obj_omode_max: 1
84
+ 2026-06-24 05:38:05,083 - obj_omode_init_occu: {'occu_type': 'uniform', 'init_occu': None}
85
+ 2026-06-24 05:38:05,083 - obj_Nlayer: 1
86
+ 2026-06-24 05:38:05,083 - obj_slice_thickness: 20.0
87
+ 2026-06-24 05:38:05,083 - simu_Npix: None
88
+ 2026-06-24 05:38:05,083 - simu_match_mode: None
89
+ 2026-06-24 05:38:05,083 - meas_permute: None
90
+ 2026-06-24 05:38:05,083 - meas_reshape: [256, 128, 128]
91
+ 2026-06-24 05:38:05,083 - meas_flipT: [0, 0, 0]
92
+ 2026-06-24 05:38:05,083 - meas_crop: None
93
+ 2026-06-24 05:38:05,083 - meas_pad: None
94
+ 2026-06-24 05:38:05,083 - meas_resample: None
95
+ 2026-06-24 05:38:05,083 - meas_add_source_size: None
96
+ 2026-06-24 05:38:05,083 - meas_add_detector_blur: None
97
+ 2026-06-24 05:38:05,083 - meas_remove_neg_values: {'mode': 'clip_neg', 'value': None, 'force': False}
98
+ 2026-06-24 05:38:05,083 - meas_normalization: {'mode': 'max_at_one', 'value': None}
99
+ 2026-06-24 05:38:05,083 - meas_add_poisson_noise: None
100
+ 2026-06-24 05:38:05,083 - meas_export: None
101
+ 2026-06-24 05:38:05,083 - probe_permute: None
102
+ 2026-06-24 05:38:05,083 - probe_z_shift: None
103
+ 2026-06-24 05:38:05,084 - probe_normalization: {'mode': 'mean_total_ints', 'value': None}
104
+ 2026-06-24 05:38:05,084 - pos_scan_flipT: None
105
+ 2026-06-24 05:38:05,084 - pos_scan_affine: None
106
+ 2026-06-24 05:38:05,084 - pos_scan_rand_std: 0.15
107
+ 2026-06-24 05:38:05,084 - obj_z_crop: None
108
+ 2026-06-24 05:38:05,084 - obj_z_pad: None
109
+ 2026-06-24 05:38:05,084 - obj_z_resample: None
110
+ 2026-06-24 05:38:05,084 - meas_source: file
111
+ 2026-06-24 05:38:05,084 - meas_params: {'path': '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000016_measurement.h5', 'key': 'measurement', 'shape': None, 'offset': None, 'gap': None, 'selection': None, 'zarr_kwargs': None}
112
+ 2026-06-24 05:38:05,084 - probe_source: simu
113
+ 2026-06-24 05:38:05,084 - probe_params: None
114
+ 2026-06-24 05:38:05,084 - pos_source: simu
115
+ 2026-06-24 05:38:05,084 - pos_params: None
116
+ 2026-06-24 05:38:05,084 - obj_source: simu
117
+ 2026-06-24 05:38:05,084 - obj_params: None
118
+ 2026-06-24 05:38:05,084 - tilt_source: simu
119
+ 2026-06-24 05:38:05,084 - tilt_params: {'tilt_type': 'all', 'init_tilts': [[0, 0]]}
120
+ 2026-06-24 05:38:05,084 -
121
+ 2026-06-24 05:38:05,084 - ### Initializing cache ###
122
+ 2026-06-24 05:38:05,084 - use_cached_obj = False
123
+ 2026-06-24 05:38:05,084 - use_cached_probe = False
124
+ 2026-06-24 05:38:05,084 - use_cached_pos = False
125
+ 2026-06-24 05:38:05,084 -
126
+ 2026-06-24 05:38:05,084 - ### Initializing measurements ###
127
+ 2026-06-24 05:38:05,084 - Loading measurements from source = 'file'
128
+ 2026-06-24 05:38:05,084 - Detected measurement file type = '.h5'
129
+ 2026-06-24 05:38:05,160 - Original measurements dtype is float32, casting to float32 (single precision) for computational efficiency.
130
+ 2026-06-24 05:38:05,160 - Imported meausrements shape / dtype = (16, 16, 128, 128), dtype = float32
131
+ 2026-06-24 05:38:05,162 - Imported meausrements int. statistics (min, mean, max) = (0.0000, 0.0001, 0.0024)
132
+ 2026-06-24 05:38:05,162 - Reshaping measurements to shape = [256, 128, 128]
133
+ 2026-06-24 05:38:05,162 - Flipping measurements with [flipud, fliplr, transpose] = [0, 0, 0]
134
+ 2026-06-24 05:38:05,164 - No negative values found in measurements. Skipping non-neg correction.
135
+ 2026-06-24 05:38:05,164 - Normalizing measurements with mode = 'max_at_one' and value = 'None'
136
+ 2026-06-24 05:38:05,164 - Normalizing by max of the 2D mean pattern intensity: 0.0017218026
137
+ 2026-06-24 05:38:05,165 - meausrements shape / dtype = (256, 128, 128), dtype = float32
138
+ 2026-06-24 05:38:05,166 - meausrements int. statistics (min, mean, max) = (0.0000, 0.0354, 1.4042)
139
+ 2026-06-24 05:38:05,167 - No negative values found in measurements. Skipping non-neg correction.
140
+ 2026-06-24 05:38:05,168 - Pattern total int. statistics (min, mean, max) = (575.9019, 580.2035, 584.2603), with min/max = 98.6%
141
+ 2026-06-24 05:38:05,169 - Global meausrements int. statistics (min, mean, max) = (0.0000, 0.0354, 1.4042)
142
+ 2026-06-24 05:38:05,169 - measurements (N, Ky, Kx) = float32, (256, 128, 128)
143
+ 2026-06-24 05:38:05,169 -
144
+ 2026-06-24 05:38:05,169 - ### Setting up calibration ###
145
+ 2026-06-24 05:38:05,169 - meas_calibration mode = 'kMax', value = 2.5
146
+ 2026-06-24 05:38:05,169 - Using loaded raw averaged measurement (before crop/pad/resample) to fit RBF as a part of the meas calibration
147
+ 2026-06-24 05:38:05,169 - Radius of fitted bright field disk (RBF) = 13.54 px with meas_Npix = 128
148
+ 2026-06-24 05:38:05,169 - Suggested probe_mask_k radius (RBF*2/Npix) > 0.2116
149
+ 2026-06-24 05:38:05,169 - Fitting raw averaged measurement with center, radius, and Gaussian blur std as a sanity check
150
+ 2026-06-24 05:38:05,169 - Note that the fitted Gaussian blur std (detector blur) would be affected by overlapping Bragg disks
151
+ 2026-06-24 05:38:05,389 - Initial guess: center=(63.62, 63.63), radius=13.54, Gaussian blur std=0.50
152
+ 2026-06-24 05:38:05,399 - Final fit: center=(63.62, 63.63), radius=13.54, Gaussian blur std=0.57
153
+ 2026-06-24 05:38:05,399 - Using init_params, the inferred RBF (conv_angle / 1e3 * Npix * dx / wavelength) = 13.68 px with Npix = 128
154
+ 2026-06-24 05:38:05,399 - dx (real space pixel size of probe and object) set to 0.2000 Ang with Npix = 128
155
+ 2026-06-24 05:38:05,399 -
156
+ 2026-06-24 05:38:05,399 - ### Setting init_variables dict ###
157
+ 2026-06-24 05:38:05,399 - Derived values given input init_params:
158
+ 2026-06-24 05:38:05,399 - kv = 300.0 kV
159
+ 2026-06-24 05:38:05,399 - wavelength = 0.0197 Ang
160
+ 2026-06-24 05:38:05,399 - conv_angle = 10.52404499053955 mrad
161
+ 2026-06-24 05:38:05,399 - Npix = 128 px
162
+ 2026-06-24 05:38:05,399 - dk = 0.0391 Ang^-1
163
+ 2026-06-24 05:38:05,399 - kMax = 2.5000 Ang^-1
164
+ 2026-06-24 05:38:05,400 - da = 0.7690 mrad
165
+ 2026-06-24 05:38:05,400 - angleMax = 49.2187 mrad
166
+ 2026-06-24 05:38:05,400 - RBF = 13.6846 px (Inferred from the given calibration, NOT necessarily from the loaded measurement data)
167
+ 2026-06-24 05:38:05,400 - n_alpha = 4.6768 (# conv_angle)
168
+ 2026-06-24 05:38:05,400 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
169
+ 2026-06-24 05:38:05,400 - Rayleigh-limited resolution = 1.1411 Ang (0.61*lambda/alpha for focused probe )
170
+ 2026-06-24 05:38:05,400 - Real space probe extent = 25.6000 Ang
171
+ 2026-06-24 05:38:05,400 -
172
+ 2026-06-24 05:38:05,400 - ### Initializing probe ###
173
+ 2026-06-24 05:38:05,400 - Loading probe from source = 'simu'
174
+ 2026-06-24 05:38:05,400 - Using experimental parameters specified by 'init_params' for initial probe simulation.
175
+ 2026-06-24 05:38:05,400 - Start simulating STEM probe
176
+ 2026-06-24 05:38:05,400 - kv = 300.0 kV
177
+ 2026-06-24 05:38:05,400 - wavelength = 0.0197 Ang
178
+ 2026-06-24 05:38:05,400 - conv_angle = 10.52404499053955 mrad
179
+ 2026-06-24 05:38:05,400 - Npix = 128 px
180
+ 2026-06-24 05:38:05,400 - dk = 0.0391 Ang^-1
181
+ 2026-06-24 05:38:05,400 - kMax = 2.5000 Ang^-1
182
+ 2026-06-24 05:38:05,400 - alpha_max = 49.2187 mrad
183
+ 2026-06-24 05:38:05,400 - dx = 0.2000 Ang, Nyquist-limited dmin = 2*dx = 0.4000 Ang
184
+ 2026-06-24 05:38:05,400 - Rayleigh-limited resolution = 1.1411 Ang (0.61*lambda/alpha for focused probe )
185
+ 2026-06-24 05:38:05,400 - Real space probe extent = 25.6000 Ang
186
+ 2026-06-24 05:38:05,400 - Krivanek Haider Magnitude Angle (°) Description
187
+ 2026-06-24 05:38:05,400 - ------------------------------------------------------------------------------------
188
+ 2026-06-24 05:38:05,401 - C1,0 C1 -644.5000 - Defocus (C10 = -df)
189
+ 2026-06-24 05:38:05,401 - C1,2 A1 -38.8440 109.38 2-fold astigmatism
190
+ 2026-06-24 05:38:05,401 - C2,1 3*B2 -35.9420 346.36 Axial coma
191
+ 2026-06-24 05:38:05,401 - C2,3 A2 643.4890 270.92 3-fold astigmatism
192
+ 2026-06-24 05:38:05,401 - C3,0 C3 1462981.3750 - Spherical aberration
193
+ 2026-06-24 05:38:05,401 - C3,2 4*S3 4877.9560 147.22 Axial star aberration
194
+ 2026-06-24 05:38:05,401 - C3,4 A3 393.0310 258.07 4-fold astigmatism
195
+ 2026-06-24 05:38:05,401 - C4,1 4*B4 -405787.2810 352.50 Axial coma(4th)
196
+ 2026-06-24 05:38:05,401 - C4,3 4*D4 -96929.4610 47.07 3-lobe aberration
197
+ 2026-06-24 05:38:05,401 - C4,5 A4 479755.1880 124.59 5-fold astigmatism
198
+ 2026-06-24 05:38:05,401 - C5,0 C5 332991232.0000 - Spherical aberration (5th)
199
+ 2026-06-24 05:38:05,401 - C5,2 6*S5 -666431.1250 256.26 Axial star aberration(5th)
200
+ 2026-06-24 05:38:05,401 - C5,4 6*R5 6416499.5000 101.01 4-lobe aberration
201
+ 2026-06-24 05:38:05,401 - C5,6 A5 16632105.0000 302.97 6-fold astigmatism
202
+ 2026-06-24 05:38:05,404 - Loaded probe shape = (1, 128, 128), dtype = complex128
203
+ 2026-06-24 05:38:05,404 - pmode_now: 1 and pmode_max: 6, padding the pmode.
204
+ 2026-06-24 05:38:05,404 - Creating 5 new probe modes from the major mode
205
+ 2026-06-24 05:38:05,404 - Start making mixed-state STEM probe with 6 incoherent probe modes
206
+ 2026-06-24 05:38:05,508 - Relative power of probe modes = [0.9 0.02 0.02 0.02 0.02 0.02]
207
+ 2026-06-24 05:38:05,508 - Orthogonalizing 6 pmodes
208
+ 2026-06-24 05:38:05,511 - Sorting 6 pmodes by their intensities
209
+ 2026-06-24 05:38:05,511 - Normalizing probe intensity with mode = 'mean_total_ints' and value = 'None'
210
+ 2026-06-24 05:38:05,512 - sum(|probe_data|**2) = 580.20, while meas_total_ints (min, mean, max) = (575.9019, 580.2035, 584.2603)
211
+ 2026-06-24 05:38:05,512 - probe (pmode, Ny, Nx) = complex64, (6, 128, 128)
212
+ 2026-06-24 05:38:05,512 -
213
+ 2026-06-24 05:38:05,512 - ### Initializing probe positions ###
214
+ 2026-06-24 05:38:05,512 - Loading probe positions from source = 'simu'
215
+ 2026-06-24 05:38:05,512 - Using experimental parameters specified by 'init_params' (dx, scan_step size, N_scan_slow, N_scan_fast) for initial position simulation.
216
+ 2026-06-24 05:38:05,512 - Simulating probe positions with dx = 0.2000, scan_step_size = 0.4189, N_scan_fast = 16, N_scan_slow = 16
217
+ 2026-06-24 05:38:05,512 - Applying Gaussian distributed random displacement with std = 0.15 px to scan positions
218
+ 2026-06-24 05:38:05,514 - crop_pos (N,2) = int16, (256, 2)
219
+ 2026-06-24 05:38:05,514 - crop_pos 1st and last px coords (y,x) = ([16, 16], [48, 48])
220
+ 2026-06-24 05:38:05,515 - crop_pos extent (Ang) = [6.4 6.4]
221
+ 2026-06-24 05:38:05,515 - probe_pos_shifts (N,2) = float32, (256, 2)
222
+ 2026-06-24 05:38:05,515 -
223
+ 2026-06-24 05:38:05,515 - ### Initializing object ###
224
+ 2026-06-24 05:38:05,515 - Loading object from source = 'simu'
225
+ 2026-06-24 05:38:05,515 - Using experimental parameters specified by 'init_params' for initial object simulation.
226
+ 2026-06-24 05:38:05,516 - omode_now: 1 and omode_max: 1, leaving the omode unchanged.
227
+ 2026-06-24 05:38:05,516 - object (omode, Nz, Ny, Nx) = complex64, (1, 1, 193, 193)
228
+ 2026-06-24 05:38:05,516 - object extent (Z, Y, X) (Ang) = [20. 38.6 38.6]
229
+ 2026-06-24 05:38:05,517 -
230
+ 2026-06-24 05:38:05,517 - ### Initializing omode_occu from 'uniform' ###
231
+ 2026-06-24 05:38:05,517 - omode_occu (omode) = float32, (1,)
232
+ 2026-06-24 05:38:05,517 -
233
+ 2026-06-24 05:38:05,517 - ### Initializing H (Fresnel propagator) ###
234
+ 2026-06-24 05:38:05,517 - Calculating H with probe_shape = (128, 128) px, dx = 0.2000 Ang, slice_thickness = 20.0000 Ang, lambd = 0.0197 Ang
235
+ 2026-06-24 05:38:05,517 - H (Ky, Kx) = complex64, (128, 128)
236
+ 2026-06-24 05:38:05,517 -
237
+ 2026-06-24 05:38:05,517 - ### Initializing obj tilts from = 'simu' ###
238
+ 2026-06-24 05:38:05,517 - Initialized obj_tilts with init_tilts = [[0, 0]] (theta_y, theta_x) mrad
239
+ 2026-06-24 05:38:05,517 - obj_tilts (N, 2) = float32, (1, 2)
240
+ 2026-06-24 05:38:05,518 -
241
+ 2026-06-24 05:38:05,518 - ### Checking consistency between input params with the initialized variables ###
242
+ 2026-06-24 05:38:05,518 - meas_Npix, simu_Npix, DP measurements, probe, and H shapes are consistent as '128'
243
+ 2026-06-24 05:38:05,518 - N_scans, len(meas), N_scan_slow*N_scan_fast, len(crop_pos), and len(probe_pos_shifts) are consistent as '256'
244
+ 2026-06-24 05:38:05,518 - obj.shape[0] is consistent with len(omode_occu) as '1'
245
+ 2026-06-24 05:38:05,518 - obj.shape[1] is consistent with Nlayer as '1'
246
+ 2026-06-24 05:38:05,518 - crop positions (yx_min=[16 16], yx_max=[176 176]) are well contained inside object canvas (Ny,Nx) = (193, 193).
247
+ 2026-06-24 05:38:05,518 - obj_tilts is consistent with either 1 or N_scans
248
+ 2026-06-24 05:38:05,518 - Pass the consistency check of initialized variables, initialization is done!
249
+ 2026-06-24 05:38:05,518 -
250
+ 2026-06-24 05:38:05,518 - ### Collecting reconstruction provenance ###
251
+ 2026-06-24 05:38:05,518 - Reconstruction provenance is collected and initialized.
252
+ 2026-06-24 05:38:05,518 -
253
+ 2026-06-24 05:38:05,518 - ### Initializing loss function ###
254
+ 2026-06-24 05:38:05,518 - Active loss types:
255
+ 2026-06-24 05:38:05,518 - loss_single : {'state': True, 'weight': 1.0, 'dp_pow': 0.5}
256
+ 2026-06-24 05:38:05,518 -
257
+ 2026-06-24 05:38:05,518 - ### Initializing constraint function ###
258
+ 2026-06-24 05:38:05,518 - Active constraint types:
259
+ 2026-06-24 05:38:05,518 - ortho_pmode : {'start_iter': 1, 'step': 1, 'end_iter': None}
260
+ 2026-06-24 05:38:05,518 - fix_probe_int : {'start_iter': 1, 'step': 1, 'end_iter': None}
261
+ 2026-06-24 05:38:05,519 - obj_zblur : {'start_iter': 1, 'step': 1, 'end_iter': None, 'obj_type': 'both', 'kernel_size': 5, 'std': 1.0}
262
+ 2026-06-24 05:38:05,519 - obja_thresh : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0, 'thresh': [0.96, 1.04]}
263
+ 2026-06-24 05:38:05,519 - pos_recenter : {'start_iter': 1, 'step': 1, 'end_iter': None, 'relax': 0.0}
264
+ 2026-06-24 05:38:05,519 -
265
+ 2026-06-24 05:38:05,519 - ### Done initializing PtyRADSolver ###
266
+ 2026-06-24 05:38:05,519 -
267
+ 2026-06-24 05:38:05,646 - ### Starting the PtyRADSolver in reconstruct mode ###
268
+ 2026-06-24 05:38:05,646 -
269
+ 2026-06-24 05:38:05,646 - ### Initializing PtychoModel model ###
270
+ 2026-06-24 05:38:05,717 - ### PtychoModel optimizable variables ###
271
+ 2026-06-24 05:38:05,717 - obja : torch.Size([1, 1, 193, 193]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
272
+ 2026-06-24 05:38:05,717 - objp : torch.Size([1, 1, 193, 193]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
273
+ 2026-06-24 05:38:05,718 - obj_tilts : torch.Size([1, 2]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
274
+ 2026-06-24 05:38:05,718 - slice_thickness : torch.Size([]) , torch.float32 , device:cuda:0, grad:False, lr:0e+00
275
+ 2026-06-24 05:38:05,718 - probe : torch.Size([6, 128, 128, 2]) , torch.float32 , device:cuda:0, grad:True , lr:1e-04
276
+ 2026-06-24 05:38:05,718 - probe_pos_shifts: torch.Size([256, 2]) , torch.float32 , device:cuda:0, grad:True , lr:5e-04
277
+ 2026-06-24 05:38:05,718 -
278
+ 2026-06-24 05:38:05,718 - ### Optimizable variables statitsics ###
279
+ 2026-06-24 05:38:05,718 - Total measurement values : 4,194,304
280
+ 2026-06-24 05:38:05,718 - Total optimizing variables: 271,618
281
+ 2026-06-24 05:38:05,718 - Overdetermined ratio : 15.44
282
+ 2026-06-24 05:38:05,718 -
283
+ 2026-06-24 05:38:05,718 - ### Model behavior ###
284
+ 2026-06-24 05:38:05,718 - Tilt propagator : False
285
+ 2026-06-24 05:38:05,718 - Change slice thickness : False
286
+ 2026-06-24 05:38:05,718 - Detector blur : False
287
+ 2026-06-24 05:38:05,718 - Preload data : True
288
+ 2026-06-24 05:38:05,718 - On-the-fly meas padding : False
289
+ 2026-06-24 05:38:05,718 - On-the-fly meas resample : False
290
+ 2026-06-24 05:38:05,718 - On-the-fly simu match mode: None
291
+ 2026-06-24 05:38:05,718 -
292
+ 2026-06-24 05:38:05,760 - ### Done initializing PtychoModel model ###
293
+ 2026-06-24 05:38:05,760 -
294
+ 2026-06-24 05:38:05,761 - ### Creating PyTorch 'Adam' optimizer with configs = {} ###
295
+ 2026-06-24 05:38:05,761 -
296
+ 2026-06-24 05:38:05,761 - ### Generating indices, batches, and output_path ###
297
+ 2026-06-24 05:38:05,762 - d90 = 59.000 px or 11.800 Ang
298
+ 2026-06-24 05:38:05,762 - Selecting indices with the 'full' mode
299
+ 2026-06-24 05:38:06,220 - Generated 8 'random' groups of ~32 scan positions in 0.000 sec
300
+ 2026-06-24 05:38:06,296 - The effective batch size (i.e., how many probe positions are simultaneously used for 1 update of ptychographic parameters) is batch_size * grad_accumulation = 32 * 1 = 32
301
+ 2026-06-24 05:38:06,297 - Original recon_dir_affixes = ['default']
302
+ 2026-06-24 05:38:06,297 - Expanded recon_dir_affixes = ['indices', 'meas', 'batch', 'pmode', 'omode', 'nlayer', 'lr', 'model', 'constraint', 'loss', 'affine', 'tilt', 'aberrations']
303
+ 2026-06-24 05:38:06,303 - Path corrected for compatibility:
304
+ 2026-06-24 05:38:06,303 - Original: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000016/c30_small__simulation_data1__sample_000016_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-644_C12_-38.8_phi12_109_C21_-35.9_phi21_346_C23_643_phi23_271_C30_1.46e+06_C32_4.88e+03_phi32_147_C34_393_phi34_258_C41_-4.06e+05_phi41_352_C43_-9.69e+04_phi43_47.1_C45_4.8e+05_phi45_125_C50_3.33e+08_C52_-6.66e+05_phi52_256_C54_6.42e+06_phi54_101_C56_1.66e+07_phi56_303
305
+ 2026-06-24 05:38:06,303 - Corrected: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000016/c30_small__simulation_data1__sample_000016_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-644_C12_-38.8_phi12_109_C21_-35.9_phi21_346_C23_643_phi23_271_C30_1.46e+06_C32_4.66e+07_phi56_303
306
+ 2026-06-24 05:38:06,304 - output_path = '/gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000016/c30_small__simulation_data1__sample_000016_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-644_C12_-38.8_phi12_109_C21_-35.9_phi21_346_C23_643_phi23_271_C30_1.46e+06_C32_4.66e+07_phi56_303' is generated!
307
+ 2026-06-24 05:38:06,455 -
308
+ 2026-06-24 05:38:06,456 - ### Log file is flushed (created) as /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000016/c30_small__simulation_data1__sample_000016_full_N256_dp128_flipT000_random32_p6_1obj_1slice_plr1e-4_oalr5e-4_oplr5e-4_slr5e-4_ozblur1.0_oathr0.96_sng1.0_C10_-644_C12_-38.8_phi12_109_C21_-35.9_phi21_346_C23_643_phi23_271_C30_1.46e+06_C32_4.66e+07_phi56_303/20260624_053806_ptyrad_log.txt ###
309
+ 2026-06-24 05:38:06,456 -
310
+ 2026-06-24 05:38:06,457 - ### Creating ConvergenceMonitor with {'tensors': ['obja', 'objp', 'probe', 'probe_pos_shifts'], 'every_n_iters': None, 'percentile_range': [15.0, 85.0]} ###
311
+ 2026-06-24 05:38:06,457 - ### Start the PtyRAD iterative ptycho reconstruction ###
312
+ 2026-06-24 05:38:06,457 - Setting up PyTorch compiler with {'fullgraph': False, 'dynamic': None, 'backend': 'inductor', 'mode': 'default', 'options': None, 'disable': True}
313
+ 2026-06-24 05:38:07,655 - Iter: 1, Total Loss: 0.7657, loss_single: 0.7657, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.436 sec
314
+ 2026-06-24 05:38:07,693 - Iter: 2, Total Loss: 0.7309, loss_single: 0.7309, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
315
+ 2026-06-24 05:38:07,728 - Iter: 3, Total Loss: 0.7068, loss_single: 0.7068, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
316
+ 2026-06-24 05:38:07,764 - Iter: 4, Total Loss: 0.6859, loss_single: 0.6859, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
317
+ 2026-06-24 05:38:07,799 - Iter: 5, Total Loss: 0.6643, loss_single: 0.6643, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
318
+ 2026-06-24 05:38:07,835 - Iter: 6, Total Loss: 0.6432, loss_single: 0.6432, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
319
+ 2026-06-24 05:38:07,870 - Iter: 7, Total Loss: 0.6194, loss_single: 0.6194, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
320
+ 2026-06-24 05:38:07,906 - Iter: 8, Total Loss: 0.5964, loss_single: 0.5964, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
321
+ 2026-06-24 05:38:07,942 - Iter: 9, Total Loss: 0.5768, loss_single: 0.5768, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
322
+ 2026-06-24 05:38:07,978 - Iter: 10, Total Loss: 0.5580, loss_single: 0.5580, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
323
+ 2026-06-24 05:38:08,014 - Iter: 11, Total Loss: 0.5429, loss_single: 0.5429, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
324
+ 2026-06-24 05:38:08,050 - Iter: 12, Total Loss: 0.5288, loss_single: 0.5288, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
325
+ 2026-06-24 05:38:08,086 - Iter: 13, Total Loss: 0.5124, loss_single: 0.5124, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
326
+ 2026-06-24 05:38:08,121 - Iter: 14, Total Loss: 0.4992, loss_single: 0.4992, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
327
+ 2026-06-24 05:38:08,156 - Iter: 15, Total Loss: 0.4864, loss_single: 0.4864, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
328
+ 2026-06-24 05:38:08,192 - Iter: 16, Total Loss: 0.4715, loss_single: 0.4715, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
329
+ 2026-06-24 05:38:08,227 - Iter: 17, Total Loss: 0.4558, loss_single: 0.4558, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
330
+ 2026-06-24 05:38:08,263 - Iter: 18, Total Loss: 0.4396, loss_single: 0.4396, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
331
+ 2026-06-24 05:38:08,299 - Iter: 19, Total Loss: 0.4248, loss_single: 0.4248, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
332
+ 2026-06-24 05:38:08,334 - Iter: 20, Total Loss: 0.4129, loss_single: 0.4129, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
333
+ 2026-06-24 05:38:08,370 - Iter: 21, Total Loss: 0.4028, loss_single: 0.4028, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
334
+ 2026-06-24 05:38:08,406 - Iter: 22, Total Loss: 0.3942, loss_single: 0.3942, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,442 - Iter: 23, Total Loss: 0.3871, loss_single: 0.3871, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:08,478 - Iter: 24, Total Loss: 0.3813, loss_single: 0.3813, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:08,513 - Iter: 25, Total Loss: 0.3763, loss_single: 0.3763, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,548 - Iter: 26, Total Loss: 0.3726, loss_single: 0.3726, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,584 - Iter: 27, Total Loss: 0.3701, loss_single: 0.3701, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,619 - Iter: 28, Total Loss: 0.3679, loss_single: 0.3679, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,655 - Iter: 29, Total Loss: 0.3658, loss_single: 0.3658, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,691 - Iter: 30, Total Loss: 0.3639, loss_single: 0.3639, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:08,730 - Iter: 31, Total Loss: 0.3626, loss_single: 0.3626, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.039 sec
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+ 2026-06-24 05:38:08,765 - Iter: 32, Total Loss: 0.3615, loss_single: 0.3615, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,801 - Iter: 33, Total Loss: 0.3604, loss_single: 0.3604, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,836 - Iter: 34, Total Loss: 0.3593, loss_single: 0.3593, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,871 - Iter: 35, Total Loss: 0.3584, loss_single: 0.3584, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,907 - Iter: 36, Total Loss: 0.3578, loss_single: 0.3578, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,942 - Iter: 37, Total Loss: 0.3571, loss_single: 0.3571, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:08,978 - Iter: 38, Total Loss: 0.3564, loss_single: 0.3564, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,014 - Iter: 39, Total Loss: 0.3560, loss_single: 0.3560, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,050 - Iter: 40, Total Loss: 0.3557, loss_single: 0.3557, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,097 - Iter: 41, Total Loss: 0.3553, loss_single: 0.3553, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,133 - Iter: 42, Total Loss: 0.3550, loss_single: 0.3550, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,168 - Iter: 43, Total Loss: 0.3547, loss_single: 0.3547, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,204 - Iter: 44, Total Loss: 0.3544, loss_single: 0.3544, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,240 - Iter: 45, Total Loss: 0.3542, loss_single: 0.3542, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,275 - Iter: 46, Total Loss: 0.3540, loss_single: 0.3540, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,310 - Iter: 47, Total Loss: 0.3537, loss_single: 0.3537, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,346 - Iter: 48, Total Loss: 0.3535, loss_single: 0.3535, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,381 - Iter: 49, Total Loss: 0.3533, loss_single: 0.3533, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,418 - Iter: 50, Total Loss: 0.3532, loss_single: 0.3532, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:09,453 - Iter: 51, Total Loss: 0.3530, loss_single: 0.3530, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,489 - Iter: 52, Total Loss: 0.3528, loss_single: 0.3528, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,525 - Iter: 53, Total Loss: 0.3527, loss_single: 0.3527, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,560 - Iter: 54, Total Loss: 0.3525, loss_single: 0.3525, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,596 - Iter: 55, Total Loss: 0.3524, loss_single: 0.3524, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,631 - Iter: 56, Total Loss: 0.3522, loss_single: 0.3522, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,667 - Iter: 57, Total Loss: 0.3520, loss_single: 0.3520, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,703 - Iter: 58, Total Loss: 0.3520, loss_single: 0.3520, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,738 - Iter: 59, Total Loss: 0.3519, loss_single: 0.3519, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,774 - Iter: 60, Total Loss: 0.3517, loss_single: 0.3517, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,809 - Iter: 61, Total Loss: 0.3517, loss_single: 0.3517, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,846 - Iter: 62, Total Loss: 0.3516, loss_single: 0.3516, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:09,881 - Iter: 63, Total Loss: 0.3515, loss_single: 0.3515, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,916 - Iter: 64, Total Loss: 0.3514, loss_single: 0.3514, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:09,952 - Iter: 65, Total Loss: 0.3513, loss_single: 0.3513, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:09,988 - Iter: 66, Total Loss: 0.3511, loss_single: 0.3511, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,023 - Iter: 67, Total Loss: 0.3511, loss_single: 0.3511, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,059 - Iter: 68, Total Loss: 0.3510, loss_single: 0.3510, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,095 - Iter: 69, Total Loss: 0.3509, loss_single: 0.3509, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,130 - Iter: 70, Total Loss: 0.3508, loss_single: 0.3508, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,166 - Iter: 71, Total Loss: 0.3507, loss_single: 0.3507, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:10,201 - Iter: 72, Total Loss: 0.3506, loss_single: 0.3506, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,237 - Iter: 73, Total Loss: 0.3505, loss_single: 0.3505, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,273 - Iter: 74, Total Loss: 0.3505, loss_single: 0.3505, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,309 - Iter: 75, Total Loss: 0.3504, loss_single: 0.3504, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,344 - Iter: 76, Total Loss: 0.3503, loss_single: 0.3503, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,380 - Iter: 77, Total Loss: 0.3502, loss_single: 0.3502, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:10,416 - Iter: 78, Total Loss: 0.3502, loss_single: 0.3502, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,451 - Iter: 79, Total Loss: 0.3501, loss_single: 0.3501, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,487 - Iter: 80, Total Loss: 0.3500, loss_single: 0.3500, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,522 - Iter: 81, Total Loss: 0.3499, loss_single: 0.3499, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,558 - Iter: 82, Total Loss: 0.3498, loss_single: 0.3498, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,594 - Iter: 83, Total Loss: 0.3498, loss_single: 0.3498, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:10,629 - Iter: 84, Total Loss: 0.3497, loss_single: 0.3497, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,665 - Iter: 85, Total Loss: 0.3496, loss_single: 0.3496, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,700 - Iter: 86, Total Loss: 0.3495, loss_single: 0.3495, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,736 - Iter: 87, Total Loss: 0.3495, loss_single: 0.3495, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,772 - Iter: 88, Total Loss: 0.3494, loss_single: 0.3494, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:10,808 - Iter: 89, Total Loss: 0.3493, loss_single: 0.3493, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,847 - Iter: 90, Total Loss: 0.3493, loss_single: 0.3493, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,883 - Iter: 91, Total Loss: 0.3492, loss_single: 0.3492, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,920 - Iter: 92, Total Loss: 0.3491, loss_single: 0.3491, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.037 sec
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+ 2026-06-24 05:38:10,956 - Iter: 93, Total Loss: 0.3491, loss_single: 0.3491, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:10,992 - Iter: 94, Total Loss: 0.3490, loss_single: 0.3490, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:11,028 - Iter: 95, Total Loss: 0.3489, loss_single: 0.3489, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:11,064 - Iter: 96, Total Loss: 0.3489, loss_single: 0.3489, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:11,099 - Iter: 97, Total Loss: 0.3488, loss_single: 0.3488, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:11,135 - Iter: 98, Total Loss: 0.3487, loss_single: 0.3487, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:11,171 - Iter: 99, Total Loss: 0.3487, loss_single: 0.3487, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.035 sec
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+ 2026-06-24 05:38:11,207 - Iter: 100, Total Loss: 0.3486, loss_single: 0.3486, loss_poissn: 0.0000, loss_pacbed: 0.0000, loss_sparse: 0.0000, loss_simlar: 0.0000, in 0.036 sec
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+ 2026-06-24 05:38:11,319 - Saving summary figures for iter 100
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+ 2026-06-24 05:38:15,016 - ### Finished 100 iterations, averaged iter_t = 0.039293 with std = 0.040 ###
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+ 2026-06-24 05:38:15,016 -
416
+ 2026-06-24 05:38:15,016 - ### The PtyRADSolver is finished in 9.370 sec ###
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+ 2026-06-24 05:38:15,016 -
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+ - 128
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+ meas_flipT:
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+ - 0
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+ - 0
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+ - 0
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+ meas_crop: null
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+ meas_pad: null
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+ meas_resample: null
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+ pos_scan_affine: null
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+ meas_params:
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+ path: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_inputs/c30_small/simulation_data1__sample_000016_measurement.h5
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+ key: measurement
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+ random_seed: 20261860
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+ obj_omode_max: 1
55
+ meas_calibration:
56
+ mode: kMax
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+ value: 2.5
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+ model_params:
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+ detector_blur_std: null
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+ update_params:
61
+ obja:
62
+ start_iter: 1
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+ lr: 0.0005
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+ end_iter: null
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+ objp:
66
+ start_iter: 1
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+ lr: 0.0005
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+ end_iter: null
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+ probe:
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+ start_iter: 1
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+ lr: 0.0001
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+ end_iter: null
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+ probe_pos_shifts:
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+ start_iter: 1
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+ lr: 0.0005
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+ end_iter: null
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+ loss_params:
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+ loss_single:
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+ state: true
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+ weight: 1.0
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+ dp_pow: 0.5
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+ loss_poissn:
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+ state: false
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+ weight: 1.0
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+ dp_pow: 1.0
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+ eps: 1.0e-06
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+ loss_sparse:
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+ state: false
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+ weight: 0.1
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+ ln_order: 1
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+ constraint_params:
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+ ortho_pmode:
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+ start_iter: 1
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+ end_iter: null
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+ fix_probe_int:
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+ start_iter: 1
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+ step: 1
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+ obj_rblur:
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+ start_iter: null
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+ step: 1
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+ end_iter: null
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+ obj_type: both
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+ kernel_size: 5
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+ std: 0.4
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+ obj_zblur:
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+ start_iter: 1
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+ step: 1
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+ end_iter: null
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+ obj_type: both
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+ kernel_size: 5
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+ std: 1
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+ obja_thresh:
115
+ start_iter: 1
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+ step: 1
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+ end_iter: null
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+ relax: 0
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+ thresh:
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+ objp_postiv:
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+ relax: 0
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+ recon_params:
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+ NITER: 100
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+ BATCH_SIZE:
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+ size: 32
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+ grad_accumulation: 1
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+ SAVE_ITERS: 100
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+ output_dir: /gpfs/scratch/ailab/ai4physic/ptyrad_workspace/ptyrad_eval_test_100samples_seed20260624/ptyrad_output/c30_small/simulation_data1__sample_000016
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+ recon_dir_affixes:
135
+ - default
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+ prefix: c30_small__simulation_data1__sample_000016
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+ postfix: ''
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+ compiler_configs:
139
+ enable: false
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+ prefix_time: false