[gmx-users] mdrun failed

[Albert]

Hello Mark:

thanks a lot for reply.

The MPI works fine in my machine when I run another problem.

How can I check whether gromacs cmake picked up the MPI that I expected? 
I've already specified with options:

CMAKE_PREFIX_PATH=/soft/intel/mkl/include/fftw:/soft/openmpi-1.7.5

thx a lot

Albert




On 05/15/2014 05:35 PM, Mark Abraham wrote:
> First, check your install of MPI works on a simple test program. Then,
> check that GROMACS cmake picked up the MPI you expected, and that that's
> really the one you're using at run time.
>
> Mark