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

From: David A Case <>
Date: Wed, 29 Apr 2020 16:57:10 -0400

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
<>, 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


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Received on Wed Apr 29 2020 - 14:00:02 PDT
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