LAMMPS ICMS

Hello,

I am new to Windows clusters. I am running on Microsoft Server 2012 R2 with HPC Pack 2012 R2.

I am trying to install LAMMPS ICMS. To run Lammps in parallel, will Microsoft’s mpich version (Microsoft MPI) work, or do I absolutely need Argonne’s mpich2?

I tried to execute lmp_mpi, but it crashes, and I am thinking this is the reason since Axel’s page says to use Argonne’s installer and I am sure he wrote this for a reason. I also can’t get mpiexec or smpd to accept command.

Does anyone have a command line or Powershell script for Microsoft HPC cluster to submit a LAMMPS or other job in serial or parallel they would be willing to share?

Thanks.

Josh

Hello,

I am new to Windows clusters. I am running on Microsoft Server 2012 R2 with
HPC Pack 2012 R2.

does somebody still run any of those? as far as i know, microsoft has
given up trying to sell their cluster tools.

I am trying to install LAMMPS ICMS. To run Lammps in parallel, will
Microsoft's mpich version (Microsoft MPI) work, or do I absolutely need
Argonne's mpich2?

yes, the binaries have been compiled with that as it is the only
binary MPI package available that is compatible with GNU compilers.
if you want to use a different MPI library, you'll have to compile
your own LAMMPS binaries. since microsoft's MPI library requires using
visual c++, you are in for a special treat, as that is a very
non-trivial exercise. visual c++ interprets the c++ standards in
slightly different ways in a few places and that usually requires some
porting effort. LAMMPS had been ported to visual c++ several years
back, but i am certain that incompatible code has since crept back in,
as the visual c++ port had been abandoned.

axel.