Re: [gmx-users] opnempi

Hi, Check that you were running the gmx binary that you thought you were running. Which by default will actually be gmx_mpi ;-) Mark On Thu, Jun 21, 2018 at 1:03 AM Stefano Guglielmo < stefano.guglie...@unito.it> wrote: > Dear gromacs users, > > I am trying to compile gromacs 2016.5 with

Re: [gmx-users] opnempi

Thanks, I did it 2018-06-21 1:08 GMT+02:00 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

Re: [gmx-users] opnempi

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

[gmx-users] opnempi

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