[gmx-users] mdrun_mpi segmentation fault for run in vacuum

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Tue Jun 12 11:54:34 CEST 2012

Hi everybody,
I tried to run a minimization just of the hydrogen of a membrane protein.
I want to do this in vacuum.

But when I started the run with

mpirun mdrun_mpi -deffnm protein -v -nt 2

I get the error that there is a segmentation fault.
But when I only type

mpirun mdrun_mpi

there is no problem so I guess that my already produced input files are
the problem. For example I am not completely sure about the .mdp file. Can
you please give me an example for a .mdp file for a minimization of only
the hydrogen but not the whole protein in a vacuum.

Thank you,

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