File size: 435 Bytes
ae02605 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 | #!/bin/bash
#SBATCH -J molfair
#SBATCH -p gpu-h100
#SBATCH --gpus=h100:1
#SBATCH -c 8
#SBATCH --mem=48g
#SBATCH -t 2:00:00
#SBATCH -o logs/molfair-%j.out
source /etc/profile
SCR=/scratch/zt1/project/msml612/user/$USER
module load python/3.10.10
export PYTHONPATH=
cd $SCR/pcmd/src
$SCR/hf_env/bin/python -u mol_fair.py --runs $SCR/pcmd/runs --root $SCR/pcmd/data/qm9 \
--n_gen 2048 --gen_bs 512 --out $SCR/pcmd/figures/mol_fair.json
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