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module unload openmpi | module unload openmpi | ||
module load ams/2024.102 | module load ams/2024.102 | ||
export SCM_TMPDIR=$SLURM_TMPDIR # for cpus within 1 node and file size <900GB. comment out this line when you run large | export SCM_TMPDIR=$SLURM_TMPDIR # for cpus within 1 node and file size <900GB. comment out this line when you run large across multi-node job | ||
bash H2O_adf.run # run the input script | bash H2O_adf.run # run the input script | ||
}} | }} |