Re: [gmx-users] installing gromacs 4.6.1 with openmpi

Sounds like a non-GROMACS problem. I think you should explore configuring OpenMPI correctly, and show you can run an MPI test program successfully. Mark On Thu, Nov 7, 2013 at 5:51 PM, niloofar niknam wrote: > Dear gromacs users > I have installed gromacs 4.6.1 with cmake 2.8.12, fftw3.3.3 and

[gmx-users] installing gromacs 4.6.1 with openmpi

Dear gromacs users I have installed gromacs 4.6.1 with cmake 2.8.12, fftw3.3.3 and openmpi-1.6.4 on a single machine with 8 cores(Red Hat Enterprise linux 6.1) . During openmpi installation ( I used "make -jN") and also in gromacs installation ( I used "make -j N" command), everything seemed ok