-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On 09/24/2010 09:18 PM, Justin A. Lemkul wrote: > > Guess my reply never hit the list, either, but it's in the archive: > > http://lists.gromacs.org/pipermail/gmx-users/2010-September/054259.html > > -Justin
Besides Justins answer perhaps you should consider using a newer version of OpenMPI as you should receive a warning, when compiling with OpenMPI < 1.4.1. /Flo > > simon sham wrote: >> Hi, >> This is the same email that I'd sent yesterday but has not got posted? >> Hi, >> I have some questions about installation of GROMACS with MPI. >> Our system administrator has installed the 4.5.1 version in our >> system. When I tested the software with >> "openmpi/openmpi-1.3.3-gcc/bin/mpirun" with mdrun_mpi, I got all sorts >> of error message such as >> "opt/apps/gromacs/gromacs-4.5.1-mpi/bin/mdrun_mpi: Symbol >> `ompi_mpi_byte' has different size in shared object, consider >> re-linking", and many others. >> >> My questions: >> 1. When I prepare my system for simulations, do I have to consistently >> use *_mpi functions in gromacs_4.5.1_mpi directory? >> 2. Are there any details that I need to pay attention when I configure >> the software with openmpi? >> >> Thanks for your help in advance. >> >> Best, >> >> Simon Sham >> >> > - -- Florian Dommert Dipl.-Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart Phone: +49(0)711/685-6-3613 Fax: +49-(0)711/685-6-3658 EMail: domm...@icp.uni-stuttgart.de Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iEYEARECAAYFAkyeLy4ACgkQLpNNBb9GiPnGRgCaAh87t7T9/TtQsUPU+5kmn/xM 970AoMnS/6OFjyaA/tB3BnU1oG5ZSbV9 =n7RM -----END PGP SIGNATURE----- -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
