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18 lines
1010 B
Bash
18 lines
1010 B
Bash
#!/bin/bash
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#SBATCH --partition=jamesz
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#SBATCH --job-name=omegafold # Job name
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#SBATCH --mail-type=ALL # Mail events (NONE, BEGIN, END, FAIL, ALL)
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#SBATCH --mail-user=wukevin@stanford.edu # Where to send mail
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#SBATCH --nodes=1 # Run all processes on a single node
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#SBATCH --ntasks=10 # Number of processes
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#SBATCH --mem=40gb # Job memory request
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#SBATCH -G 2
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#SBATCH -C GPU_SKU:RTX_2080Ti
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#SBATCH --time=6-23:59:59 # Time limit
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#SBATCH --output=omegafold_%j.log # Standard output and error log
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. /home/groups/jamesz/miniconda3/etc/profile.d/conda.sh
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. ~/.bashrc
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# Activate the appropriate conda environment
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conda activate /home/groups/jamesz/wukevin/envs/omegafold
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python /home/groups/jamesz/wukevin/projects/protdiff/bin/omegafold_across_gpus.py proteinmpnn_residues/*.fasta -o omegafold_predictions_proteinmpnn --weights /home/groups/jamesz/wukevin/software/omegafold/release1.pt
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