[gmx-users] opnempi

[Benson Muite]

Hi,

Might try using ccmake to get user interface and check variables are 
setup correctly.

Regards,
Benson

On 06/21/2018 02:03 AM, Stefano Guglielmo wrote:
> Dear gromacs users,
> 
> I am trying to compile gromacs 2016.5 with openmpi compilers installed on
> my machine; here is the configuration command:
> 
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=on
> -DGMX_MPI=on -DMPI_C_COMPILER=/usr/lib64/openmpi/bin/mpicc
> -DMPI_CXX_COMPILER=/usr/lib64/openmpi/bin/mpicxx
> 
> compilation and installation end up correctly, but when trying to run
> mdrun, gromacs still uses its own tMPI; how can I avoid tMPI and "force" to
> MPI?
> 
> Thanks in advance
> Stefano
>