Hi Daniel, are you using the newest version of 4.6? There was an issue with g_tune_pme, which I already fixed. I guess it could be responsible for the error that you see.
Best, Carsten On Mar 21, 2013, at 2:26 PM, Daniel Wang <[email protected]> wrote: > Hi everyone~ > > When I run g_tune_pme_mpi, it prompts: > > Fatal error: > Need an MPI-enabled version of mdrun. This one > (mdrun_mpi) > seems to have been compiled without MPI support. > > I'm sure my gromacs is compiled WITH MPI support and "mpiexec -n xx > mdrun_mpi -s yy.tpr" works normally. > How to fix it? I'm using gromacs4.6 and Intel MPI 4.1.0. > Thanks. > > -- > Daniel Wang / npbool > Computer Science & Technology, Tsinghua University > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Dr. Carsten Kutzner Max Planck Institute for Biophysical Chemistry Theoretical and Computational Biophysics Am Fassberg 11, 37077 Goettingen, Germany Tel. +49-551-2012313, Fax: +49-551-2012302 http://www.mpibpc.mpg.de/grubmueller/kutzner http://www.mpibpc.mpg.de/grubmueller/sppexa -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
