27 lines
725 B
Bash
Executable file
27 lines
725 B
Bash
Executable file
#!/usr/bin/env bash
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# CLI args with defaults
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BATCH_SIZE=${1:-240}
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AMP=${2:-true}
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NUM_EPOCHS=${3:-130}
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LEARNING_RATE=${4:-0.01}
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WEIGHT_DECAY=${5:-0.1}
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# choices: 'mu', 'alpha', 'homo', 'lumo', 'gap', 'r2', 'zpve', 'U0', 'U', 'H', 'G', 'Cv',
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# 'U0_atom', 'U_atom', 'H_atom', 'G_atom', 'A', 'B', 'C'
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TASK=homo
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python -m torch.distributed.run --nnodes=1 --nproc_per_node=gpu --max_restarts 0 --module \
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se3_transformer.runtime.training \
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--amp "$AMP" \
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--batch_size "$BATCH_SIZE" \
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--epochs "$NUM_EPOCHS" \
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--lr "$LEARNING_RATE" \
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--min_lr 0.00001 \
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--weight_decay "$WEIGHT_DECAY" \
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--use_layer_norm \
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--norm \
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--save_ckpt_path model_qm9.pth \
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--precompute_bases \
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--seed 42 \
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--task "$TASK" |