#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/140.123.79.184-32000-task40156"
export PATH="/home/user/MD/Linux-x86_64/IntelMPI5/bin:$PATH"
export LD_LIBRARY_PATH="/home/user/MD/Linux-x86_64/IntelMPI5/lib:/home/user/MD/TaskServer/Tools/LAMMPS7Jan22/Linux-x86_64:/home/user/MD/Linux-x86_64:$LD_LIBRARY_PATH"
export PLUMED_KERNEL="/home/user/MD/TaskServer/Tools/LAMMPS7Jan22/Linux-x86_64/libplumedKernel.so"
"/home/user/MD/Linux-x86_64/IntelMPI5/bin/mpirun"  -np 36 "/home/user/MD/TaskServer/Tools/LAMMPS7Jan22/Linux-x86_64/LAMMPS_KK_MPI" -k on -sf kk -in input.dat