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Runtime error
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#!/usr/bin/env bash
# CLI args with defaults
BATCH_SIZE=${1:-240}
AMP=${2:-true}
# choices: 'mu', 'alpha', 'homo', 'lumo', 'gap', 'r2', 'zpve', 'U0', 'U', 'H', 'G', 'Cv',
# 'U0_atom', 'U_atom', 'H_atom', 'G_atom', 'A', 'B', 'C'
TASK=homo
python -m torch.distributed.run --nnodes=1 --nproc_per_node=gpu --max_restarts 0 --module \
se3_transformer.runtime.inference \
--amp "$AMP" \
--batch_size "$BATCH_SIZE" \
--use_layer_norm \
--norm \
--load_ckpt_path model_qm9.pth \
--task "$TASK"
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