Re: [AMBER-Developers] Release candidate 5 for Amber20/AmberTools20

From: Brent Krueger <kruegerb.hope.edu>
Date: Wed, 29 Apr 2020 18:54:02 -0400

Gerald -- CentOS 8 with MPICH does seem to be working for me. Build was
find and tests are ongoing -- but most/all seem to be passing so far.

However, I can NOT build CUDA (either 10.1 or 10.2) with CentOS 8
successfully anymore. Both 10.1 and 10.2 worked fine with CentOS 8 for me
with RC4 and RC3.

Brent


On Wed, Apr 29, 2020 at 4:57 PM David A Case <david.case.rutgers.edu> wrote:

> On Wed, Apr 29, 2020, Dan Roe wrote:
>
> >For the parallel build, I can't get RC5 to get past the initial
> >run_cmake phase with Intel 17.0.4 + Intel MPI + cmake 3.13.2:
>
> Is this a regression? That is, did earlier release candidates work? If
> so, be sure to let Jamie know (see below), as this can probably be fixed.
>
> I don't have Intel MPI, (it's quite expensive) so can't test what you
> are trying. I've built my own MPI using mpich and the intel compilers
> (i.e. configure_mpich intel) -- will try that out soon.
>
> I can confirm that serial intel works pretty well (see wiki test results
> site). I'm testing version 19.0.5.
>
>
> >
> >```
> >-- Could NOT find MPI_C (missing: MPI_mpigi_LIBRARY MPI_C_WORKS)
> >-- Could NOT find MPI_CXX (missing: MPI_mpigi_LIBRARY MPI_CXX_WORKS)
> >-- Could NOT find MPI_Fortran (missing: MPI_mpigi_LIBRARY
> MPI_Fortran_WORKS)
> >-- Could NOT find MPI (missing: MPI_C_FOUND MPI_CXX_FOUND
> MPI_Fortran_FOUND)
> >CMake Error at cmake/MPIConfig.cmake:12 (message):
> > You requested MPI, but the MPI C library was not found. Please install
> one
> > and try again, or set MPI_C_INCLUDE_PATH and MPI_C_LIBRARIES to point to
> > your MPI.
>
> Be sure that you get problem reports to Jamie
> <jsmith.crackofdawn.onmicrosoft.com>, since I doubt that he follows the
> amber-developers mailing list.
>
> I can't find any Google hits on MPI_mpigi_LIBRARY. You might try
> setting your CMAKE_PREFIX_PATH variable to the location of the intel MPI
> library.
>
> ...thx...dac
>
>
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>


-- 
_______________________________________________
Brent P. Krueger  (he/him/his)......phone:   616 395 7629
Professor......................................fax:       616 395 7118
Hope College...............................Schaap Hall 2120
Department of Chemistry
Holland, MI     49423
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Received on Wed Apr 29 2020 - 16:00:02 PDT
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