#!/bin/bash # sample launch scripts # TCP, running LAMMPS on one proc python driver.py -mdi "-name driver -role DRIVER -method TCP -port 8021" & ../../../src/lmp_mdi -mdi "-name LAMMPS -role ENGINE -method TCP -port 8021 -hostname localhost" -in lammps.in > lammps.out & wait # TCP, running LAMMPS on two procs python driver.py -mdi "-name driver -role DRIVER -method TCP -port 8021" & mpiexec -n 2 ../../../src/lmp_mdi -mdi "-name LAMMPS -role ENGINE -method TCP -port 8021 -hostname localhost" -in lammps.in > lammps.out & wait