[gmx-users] mdrun_mpi!!

Justin A. Lemkul jalemkul at vt.edu
Wed Apr 13 12:34:24 CEST 2011

delara aghaie wrote:
> Hello
> In version 4.0.7 in .ll file, I use command line:
> *mpiexec mdrun_mpi -v -s topol.tpr*
> I get error which does noe recognize mdrun_mpi
> I change it to mdrun and it works.
> 1) is the bold command line ok?

Only if you have (1) compiled with MPI support and (2) named the executable 

> 2) version 4.0.7 does not need _mpi after commands?

You can name the executable whatever you like, with whatever suffix you choose 
(or none at all, as the case may be).


> thanks
> D.Aghaie


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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