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#!/bin/bash
#SBATCH -N 1
#SBATCH -G 4
#SBATCH -C gpu&hbm80g
#SBATCH -q regular
#SBATCH -t 01:00:00
#SBATCH -A m4235
#SBATCH -J sampling
source /global/u2/s/si264/mambaforge/etc/profile.d/conda.sh
conda activate proera
target="TrpB4"
BASE_DIR="./$target/lightning_logs"
# Get a sorted list of subdirectories
subdirs=($(ls -d "$BASE_DIR"/*/ | sort))
# Run the script 10 times
for i in {0..9}; do
# Extract the version number (subdirectory name)
version_number=$(basename "${subdirs[$i]}")
# Run the Python script with the specified arguments
python sample_esm.py \
--target $target \
--num_samples 96 \
--alignment_round 3 \
--version_number "$version_number" \
--replicate "$i"
done |