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Re: [lammps-users] Does user-omp work with mpich?
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Re: [lammps-users] Does user-omp work with mpich?

From: Mockele Nkrumah <mgmike20@...24...>
Date: Mon, 16 Oct 2017 00:41:09 +0200

Yes, I've already read what says the manual but I wasn't sure that it also worked with mpich since whenever I was invoking it, I wasn't getting such good results.  

Probably what I am doing wrong is not giving the system the correct thread number.  I read that with OpenMPI, there is a command which prevents the system from using a thread number higher than its maximum allowed value, however this feature isn't available in mpich.

Thank you.


On Sun, Oct 15, 2017 at 8:57 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:
On Sun, Oct 15, 2017 at 12:33 PM, Mockele Nkrumah <mgmike20@...1125.....> wrote:
> Dear all,
> I've installed  Mpich3.2 to run Lammps in parallel.  Will user-omp work with
> it if I invoke it using -sf omp, or does it work only if I use Openmpi?

OpenMP and thus USER-OMP will work with *any* kind of MPI library.
how to correctly install, configure, compile and use LAMMPS with
USER-OMP is explained in detail in the manual.


> If it doesn't work, would I need to set the OMP_THREAD variable?
> Thanks.
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Dr. Axel Kohlmeyer  akohlmey@...43...4...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.