Re: [AMBER] Amber20 MPIC location problem

From: Gerald Monard <Gerald.Monard.univ-lorraine.fr>
Date: Sun, 17 May 2020 16:26:29 +0200

Hello,

If you are using the system packages, have you also installed
openmpi3-devel or mpich-devel?

If you go through the ./configure_mpich script in AmberTools/src, don't
forget to uninstall the MPI system packages if they exists because cmake
could get confused between the different installations.

Gerald.

On 5/16/20 05:54, Filip Fratev wrote:
> Hi,
>
> I have a problem with MPIC location during Amber20 installation. I did
> everything according to the manual, created suggested paths and also
> many other things but without any success. I installed openmpi3 as it
> was also suggested but have the same problem. My system is Suse Tumbleweed.
>
> /--
> **************************************************************************//
> //-- Starting configuration of Amber version 20.0.0...//
> //-- CMake Version: 3.17.2//
> //-- For how to use this build system, please read this wiki://
> //--     http://ambermd.org/pmwiki/pmwiki.php/Main/CMake//
> //-- For a list of important CMake variables, check here://
> //-- http://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options//
> //--
> **************************************************************************//
> //-- Amber source found, building AmberTools and Amber//
> //-- Could NOT find MPI_C (missing: MPI_mpi_LIBRARY MPI_C_HEADER_DIR
> MPI_C_WORKS) //
> //-- Could NOT find MPI_CXX (missing: MPI_mpicxx_LIBRARY MPI_mpi_LIBRARY
> MPI_CXX_HEADER_DIR MPI_CXX_WORKS) //
> //-- Could NOT find MPI_Fortran (missing: MPI_mpifort_LIBRARY
> MPI_mpi_LIBRARY MPI_Fortran_F77_HEADER_DIR MPI_Fortran_MODULE_DIR
> 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.//
> //Call Stack (most recent call first)://
> //  CMakeLists.txt:118 (include)//
> //
> //
> //-- Configuring incomplete, errors occurred!/
>
> If I point to mpic location (via cmake...txt file in the same folder)
> which is the default one I have this massage:
>
> /--
> **************************************************************************//
> //-- Starting configuration of Amber version 20.0.0...//
> //-- CMake Version: 3.17.2//
> //-- For how to use this build system, please read this wiki://
> //--     http://ambermd.org/pmwiki/pmwiki.php/Main/CMake//
> //-- For a list of important CMake variables, check here://
> //-- http://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options//
> //--
> **************************************************************************//
> //-- Amber source found, building AmberTools and Amber//
> //WARNING: Target "cmTC_0b1ae" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_0b1ae" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //-- Could NOT find MPI_C (missing: MPI_C_HEADER_DIR MPI_C_WORKS) //
> //WARNING: Target "cmTC_0ee75" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_0ee75" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_0ee75" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_0ee75" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //-- Could NOT find MPI_CXX (missing: MPI_CXX_HEADER_DIR MPI_CXX_WORKS) //
> //WARNING: Target "cmTC_10aad" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_10aad" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_10aad" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_10aad" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_36c24" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_36c24" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_36c24" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_36c24" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_7baee" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_7baee" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_7baee" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_7baee" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_9b8cd" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_9b8cd" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_9b8cd" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/bin".  Targets may link only to libraries.
> CMake is dropping the item.//
> //WARNING: Target "cmTC_9b8cd" requests linking to directory
> "/usr/lib64/mpi/gcc/mpich/lib64".  Targets may link only to libraries.
> CMake is dropping the item.//
> //-- Could NOT find MPI_Fortran (missing: MPI_Fortran_F77_HEADER_DIR
> MPI_Fortran_MODULE_DIR 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.//
> //Call Stack (most recent call first)://
> //  CMakeLists.txt:118 (include)/
>
>
> Indeed, I also have a problem with cuda (10.2 in my case).
>
> Can you help me please?
>
>
> Regards,
>
> Filip
>
>
>
>
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

-- 
____________________________________________________________________________
  Prof. Gerald MONARD
  Directeur du mésocentre EXPLOR
  Université de Lorraine
  Boulevard des Aiguillettes B.P. 70239
  F-54506 Vandoeuvre-les-Nancy, FRANCE
  e-mail : Gerald.Monard.univ-lorraine.fr
  phone  : +33 (0)372.745.279
  mobile : +33 (0)678.006.443
  web    : http://www.monard.info
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Received on Sun May 17 2020 - 07:30:02 PDT
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