#!/bin/bash

# Use this script to set up new PFARM EXDIG GPU-based runs for atomic dataset (1) 
# Usage: ./setup_run_gpu_atom.scr <new_run_dir>

mkdir $1
cd $1
ln -s ../../data/test_case_1_atom/H .
ln -s ../../data/test_case_1_atom/XJTARMOM .
cp ../../data/test_case_1_atom/phzin.ctl .
ln -s ../bin/exdig_mpi_gpu_atom .
cp ../example_job_scripts/exdig_gpu_atom_8x4.slurm .
cd ..



