#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/172.16.0.58-32000-task72745"
export PATH="/home/user/MD/Linux-x86_64/IntelMPI5/bin:$PATH"
export LD_LIBRARY_PATH="/home/user/MD/Linux-x86_64/IntelMPI5/lib:/home/user/MD/TaskServer/Tools/LAMMPS2Jun22/Linux-x86_64:/home/user/MD/Linux-x86_64:$LD_LIBRARY_PATH"
"/home/user/MD/Linux-x86_64/IntelMPI5/bin/mpirun"  -np 1 "/home/user/MD/TaskServer/Tools/LAMMPS2Jun22/Linux-x86_64/LAMMPS_70" -kokkos on gpus 1 -sf kk -pk kokkos newton on neigh half -in input.dat