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Andrew Sunderland authoredd3a85545
setup_run_gpu_mol.scr 339 B
#!/bin/bash
# Use this script to set up new PFARM EXDIG GPU-based runs for molecular dataset (2)
# Usage: ./setup_run_gpu_mol.scr <new_run_dir>
mkdir $1
cd $1
ln -s ../../data/test_case_2_mol/H .
cp ../../data/test_case_2_mol/phzin.ctl .
ln -s ../../bin/exdig_mpi_gpu_mol .
cp ../example_job_scripts/exdig_gpu_mol_8x4.slurm .
cd ..