Hi,
Thank you for your respond!
I have default mpich installation as it is provided by my Linux
distribution (Suse)and cmake can not find it.
Then I installed mpich from their website in the specified folder in
Amber_scr/AmberTols/scr..and used
cd $AMBERHOME/AmberTools/src
./configure_mpich <compiler>
This script installed the mpich in amber20/bin folder. However, cmake
gives the same error, e.g is not able to find MPICH.
Further I tried with openmpi3 as it was specified and have the
same/similar error (please see below).
I also tried to set MPI_C_INCLUDE_PATH and MPI_C_LIBRARIES variables,
which gave me the same error again (a bit different output log).
Finally, I was almost completely sure that your solution with
-DCMAKE_PREFIX_PATH=/home/case/mpich will work and installed mpich in my
home folder /home/fratev/mpich. However, it gave me the same error message
and I really need of help. I saw that similar problems have been detected
during the development v4 and v5 versions.
About the cuda my gcc version is higher that 8 and I remember that you
have already provided solution for that for the previous Amber versions. I
am not sure how to point the Cmake to some folder with older gcc version
or something similar.
Regards,
Filip
These are the outputs:
MPICH
-- **************************************************************************
-- 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
CMake Warning (dev) at
/usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:272
(message):
The package name passed to `find_package_handle_standard_args` (OpenMP_C)
does not match the name of the calling package (OpenMPFixed). This can
lead to problems in calling code that expects `find_package` result
variables (e.g., `_FOUND`) to follow a certain pattern.
Call Stack (most recent call first):
cmake/patched-cmake-modules/FindOpenMPFixed.cmake:408
(find_package_handle_standard_args)
cmake/OpenMPConfig.cmake:11 (find_package)
CMakeLists.txt:117 (include)
This warning is for project developers. Use -Wno-dev to suppress it.
CMake Warning (dev) at
/usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:272
(message):
The package name passed to `find_package_handle_standard_args` (OpenMP_CXX)
does not match the name of the calling package (OpenMPFixed). This can
lead to problems in calling code that expects `find_package` result
variables (e.g., `_FOUND`) to follow a certain pattern.
Call Stack (most recent call first):
cmake/patched-cmake-modules/FindOpenMPFixed.cmake:408
(find_package_handle_standard_args)
cmake/OpenMPConfig.cmake:11 (find_package)
CMakeLists.txt:117 (include)
This warning is for project developers. Use -Wno-dev to suppress it.
CMake Warning (dev) at
/usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:272
(message):
The package name passed to `find_package_handle_standard_args`
(OpenMP_Fortran) does not match the name of the calling package
(OpenMPFixed). This can lead to problems in calling code that expects
`find_package` result variables (e.g., `_FOUND`) to follow a certain
pattern.
Call Stack (most recent call first):
cmake/patched-cmake-modules/FindOpenMPFixed.cmake:408
(find_package_handle_standard_args)
cmake/OpenMPConfig.cmake:11 (find_package)
CMakeLists.txt:117 (include)
This warning is for project developers. Use -Wno-dev to suppress it.
-- Could NOT find MPI_C (missing: MPI_mpi_LIBRARY MPI_C_WORKS)
-- Could NOT find MPI_CXX (missing: MPI_mpicxx_LIBRARY MPI_mpi_LIBRARY
MPI_CXX_WORKS)
-- Could NOT find MPI_Fortran (missing: MPI_mpifort_LIBRARY
MPI_mpi_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.
Call Stack (most recent call first):
CMakeLists.txt:118 (include)
OpenMPI
Running: cmake /home/fratev/amber20_src
-DCMAKE_INSTALL_PREFIX=/home/fratev/amber20
-DCMAKE_PREFIX_PATH=/home/kometata/mpich
./quick_cmake_install: line 168: -DCOMPILER=GNU: command not found
-- **************************************************************************
-- 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
CMake Warning (dev) at
/usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:272
(message):
The package name passed to `find_package_handle_standard_args` (OpenMP_C)
does not match the name of the calling package (OpenMPFixed). This can
lead to problems in calling code that expects `find_package` result
variables (e.g., `_FOUND`) to follow a certain pattern.
Call Stack (most recent call first):
cmake/patched-cmake-modules/FindOpenMPFixed.cmake:408
(find_package_handle_standard_args)
cmake/OpenMPConfig.cmake:11 (find_package)
CMakeLists.txt:117 (include)
This warning is for project developers. Use -Wno-dev to suppress it.
CMake Warning (dev) at
/usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:272
(message):
The package name passed to `find_package_handle_standard_args` (OpenMP_CXX)
does not match the name of the calling package (OpenMPFixed). This can
lead to problems in calling code that expects `find_package` result
variables (e.g., `_FOUND`) to follow a certain pattern.
Call Stack (most recent call first):
cmake/patched-cmake-modules/FindOpenMPFixed.cmake:408
(find_package_handle_standard_args)
cmake/OpenMPConfig.cmake:11 (find_package)
CMakeLists.txt:117 (include)
This warning is for project developers. Use -Wno-dev to suppress it.
CMake Warning (dev) at
/usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:272
(message):
The package name passed to `find_package_handle_standard_args`
(OpenMP_Fortran) does not match the name of the calling package
(OpenMPFixed). This can lead to problems in calling code that expects
`find_package` result variables (e.g., `_FOUND`) to follow a certain
pattern.
Call Stack (most recent call first):
cmake/patched-cmake-modules/FindOpenMPFixed.cmake:408
(find_package_handle_standard_args)
cmake/OpenMPConfig.cmake:11 (find_package)
CMakeLists.txt:117 (include)
This warning is for project developers. Use -Wno-dev to suppress it.
-- Could NOT find MPI_C (missing: MPI_mpi_LIBRARY MPI_C_WORKS)
-- Could NOT find MPI_CXX (missing: MPI_mpicxx_LIBRARY MPI_mpi_LIBRARY
MPI_CXX_WORKS)
-- Could NOT find MPI_Fortran (missing: MPI_mpifort_LIBRARY
MPI_mpi_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.
Call Stack (most recent call first):
CMakeLists.txt:118 (include)
> On Sat, May 16, 2020, Filip Fratev wrote:
>>
>>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.
>
> It's not clear what you actually did; "everything according to the
> manual" is a little vague. If your MPICH is installed in some
> non-standard location (such as /home/case/mpich), it should be possible
> to just add '-DCMAKE_PREFIX_PATH=/home/case/mpich' to your run_cmake
> file. This will tell cmake to look there for the mpi codes it needs.
>
> ....good luck....dac
>
>>
>>Indeed, I also have a problem with cuda (10.2 in my case).
>>
>
> Can't help much here, given no details. Is your CUDA_HOME environment
> variable set?
>
> ....good luck....dac
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Sat May 16 2020 - 20:30:02 PDT
