[gmx-users] mpi.h fatal error.

Anna Vernon lappala.anna at gmail.com
Tue Oct 25 01:56:51 CEST 2016


To clarify:
Here is my cmake command
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=on -DCMAKE_C_COMPILER=mpicc
-DMPIEXEC=mpirun -DMPIEXEC_NUMPROC_FLAG=-np -DNUMPROC=2
-DREGRESSIONTEST_DOWNLOAD=ON


On 24 October 2016 at 17:52, Anna Vernon <lappala.anna at gmail.com> wrote:

> After a gazillion useful and draining installs and cmakes for a week now,I
> have this issue. My plan is to install gromacs 5.1.2 with a plumed patch,
> because no matter what I did to gromacs2016, it would not even recognise
> plumed although the patch had been applied. Anyhow,
>
> /home/anna/Downloads/gromacs-5.1.2/src/gromacs/utility/gmxmpi.h:61:17:
> fatal error: mpi.h: No such file or directory
> compilation terminated.
> src/gromacs/CMakeFiles/libgromacs.dir/build.make:933: recipe for target
> 'src/gromacs/CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o'
> failed
> make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o]
> Error 1
> CMakeFiles/Makefile2:2026: recipe for target 'src/gromacs/CMakeFiles/libgromacs.dir/all'
> failed
> make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
> Makefile:160: recipe for target 'all' failed
> make: *** [all] Error 2
>
> I have looked through the forum, nothing to solve this issue either.
>
> Regards
>
> Anna
>
>


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