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Description of problem: The packages contained in the gromacs-openmpi subpackage are compiled against Open MPI 1.4 and are installed into (for x86_64) /usr/lib64/openmpi/bin. However, as of RHEL 6.3, /usr/lib64/openmpi contains version 1.5 of OpenMPI. OpenMPI-1.4 is /usr/lib64/compat-openmpi. As a result of this, /usr/lib64/openmpi/bin/g_mdrun_openmpi and /usr/lib64/openmpi/bin/g_mdrun_openmpi_d aren't able to be executed, as they're looking for older versions of OpenMPI. Version-Release number of selected component (if applicable): gromacs-openmpi-4.5.5-1.el6 How reproducible: Every time Steps to Reproduce: 1. Install gromacs-openmpi-4.5.5-1.el6 2. ldd /usr/lib64/openmpi/bin/g_mdrun_openmpi Actual results: libmpi.so.0 => not found Expected results: libmpi.so.1 => /usr/lib64/openmpi/lib/libmpi.so.1 (0x000000308e600000) Additional info: Recompiling the SRPM on RHEL 6.3 fixes the problem.
gromacs-4.5.5-2.el6 has been submitted as an update for Fedora EPEL 6. https://admin.fedoraproject.org/updates/gromacs-4.5.5-2.el6
Package gromacs-4.5.5-2.el6: * should fix your issue, * was pushed to the Fedora EPEL 6 testing repository, * should be available at your local mirror within two days. Update it with: # su -c 'yum update --enablerepo=epel-testing gromacs-4.5.5-2.el6' as soon as you are able to. Please go to the following url: https://admin.fedoraproject.org/updates/FEDORA-EPEL-2012-13361/gromacs-4.5.5-2.el6 then log in and leave karma (feedback).
gromacs-4.5.5-2.el6 has been pushed to the Fedora EPEL 6 stable repository. If problems still persist, please make note of it in this bug report.