[gmx-users] installing gromacs 4.6.1 with openmpi

niloofar niknam niloofae_niknam at yahoo.com
Thu Nov 7 17:51:44 CET 2013


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 but when I want to use mpirun -np N mdrun I face this error: 

"mpiexec failed: gethostbyname_ex failed for Bioinf2"
(I can run mdrun with just one cpu).Any suggestion would be highly appreciated.
thanks in advance,
Niloofar


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