[gmx-users] Error with Energy minimisation

[Mark Abraham]

Sheyore Omovie wrote:
> Hi,
> I was trying out the Ribonuclease S-peptide simulation in the online 
> tutorial manual.
> I get the following error message when I try to do energy minimisation:
> '<MPICH-MX> Error: Need to obtain the job magic number in MXMPI_MAGIC'
> What could I have done wrong?

This is some problem with MPI... can you run other parallel programs?

Mark