[gmx-users] g_tune_pme can't be executed

[Daniel Wang]

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