#!/usr/bin/env bash set -euo pipefail # ========================= # Resolve paths # ========================= SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)" EQUIFORMER_DIR="$(cd "$SCRIPT_DIR/.." && pwd)" REPO_ROOT="$(cd "$SCRIPT_DIR/../../.." && pwd)" TRAIN_SCRIPT="$EQUIFORMER_DIR/training_equiformer.py" export PYTHONPATH="$REPO_ROOT:${PYTHONPATH:-}" # ========================= # User settings # ========================= NAME="equiformer" MODEL_CONFIG="small" # choices: orig, small SEED="42" DATASET="$REPO_ROOT/datasets/h5/train_plus_val.h5" # ========================= # Detect number of visible GPUs # ========================= if command -v nvidia-smi &> /dev/null; then NGPUS=$(nvidia-smi -L | wc -l) else echo "ERROR: nvidia-smi not found" exit 1 fi if [ "$NGPUS" -eq 0 ]; then echo "ERROR: No GPUs visible" exit 1 fi echo "Found $NGPUS GPU(s)" echo "CUDA_VISIBLE_DEVICES=${CUDA_VISIBLE_DEVICES:-}" echo "SCRIPT_DIR=$SCRIPT_DIR" echo "EQUIFORMER_DIR=$EQUIFORMER_DIR" echo "REPO_ROOT=$REPO_ROOT" echo "" echo "Run configuration:" echo " NAME=$NAME" echo " MODEL_CONFIG=$MODEL_CONFIG" echo " DATASET=$DATASET" echo " SEED=$SEED" echo "" # ========================= # Optional args # ========================= EXTRA_ARGS=() # ========================= # Launch with torchrun # ========================= torchrun \ --standalone \ --nproc_per_node="$NGPUS" \ "$TRAIN_SCRIPT" \ --name "$NAME" \ --model_config "$MODEL_CONFIG" \ --dataset "$DATASET" \ --seed "$SEED" \ "${EXTRA_ARGS[@]}"