I am simulating water using Lammps in Windows 10. I have 16 cores on my PC. I want to run the simulation by using all the cores. I have installed the ( LAMMPS-64bit-latest-MPI.exe) and then mpich2-1.4.1p1-win-x86-64.msi. However, the validation has not been successful for the ‘mpiexec -validate’ command. It will be highly appreciated if someone helps me to run lammps on multiple processors using mpi (windows 10).
There are three different things you can try:
- you can try using
mpiexec -localonly 16 lmp -in in.input -log out.output - you need to properly register the launching services from an administrator shell and then reboot before trying to launch parallel jobs
- you uninstall both packages and instead install the more recent MS-MPI package for MPI from https://www.microsoft.com/en-us/download/details.aspx?id=100593
and a corresponding LAMMPS installer from: LAMMPS Binaries Repository: ./lammps-testing
For more information about the third option (which will soon be the only option), please read this post: LAMMPS Windows Installer Packages with support for MS-MPI - Testers needed
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Thank you for your help.