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
