[gmx-users] Build-Gromacs installation error
pall.szilard at gmail.com
Tue Feb 10 21:03:39 CET 2015
On Fri, Feb 6, 2015 at 7:28 AM, Dan Sponseller <gromacs at danpeg.com> wrote:
> You might not have MPI installed on your computer (or MPICH). However, sounds like you are installing this on a personal computer. You should turn off MPI as GROMACS’ internal thread MPI is excellent. You only need to turn on MPI if you are installing this on a cluster where multiple CPUs are used on separated PCs.
> If you really need external MPI, the wrapper compiler is usually called ‘mpicc’. So set all the cmake variables to this.
FYI: you *can* use
CC=gcc CXX=gcc cmake -DGMX_MPI=ON
CC=mpicc CXX=mpicxx cmake -DGMX_MPI=ON
In the former case, the regular compilers will be used and our build
system will _do its best_ to detect the MPI libraries/headers and set
up the build accordingly. With vanilla Linux package-based MPI
installations I never had issues with it!
>> On Feb 6, 2015, at 1:01 AM, rahul dhakne <rahuldhakne89 at gmail.com> wrote:
>> Hello Everyone,
>> I am trying to install Gromacs on my computer. But after I run *cmake ..*
>> command it display error
>> -- Enabling native GPU acceleration
>> -- Could NOT find MPI_C (missing: MPI_C_LIBRARIES MPI_C_INCLUDE_PATH)
>> -- Could NOT find MPI_CXX (missing: MPI_CXX_LIBRARIES
>> CMake Error at cmake/gmxManageMPI.cmake:150 (message):
>> MPI support requested, but no MPI compiler found. Either set the
>> C-compiler (CMAKE_C_COMPILER) to the MPI compiler (often called mpicc), or
>> set the variables reported missing for MPI_C above.
>> Call Stack (most recent call first):
>> CMakeLists.txt:464 (include)
>> -- Configuring incomplete, errors occurred!
>> See also
>> See also
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