[gmx-users] mdrun_mpi!!

[Justin A. Lemkul]

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 
accordingly.

> 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).

-Justin

> thanks
> D.Aghaie
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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