[gmx-users] Re: Regarding parallel execution

Justin A. Lemkul jalemkul at vt.edu
Mon Dec 7 16:01:48 CET 2009


Please do not send private help requests; I do not advertise myself as a private 
tutor.  Send all help requests to the gmx-users list.  This error is 
well-documented on the Gromacs site.  I advise you to check there first, as well 
as the mailing list archive, to solve your problems.

http://www.gromacs.org/Documentation/Gromacs_Utilities/grompp#Parallel_calculations

-Justin

Mahendran E wrote:
> Hello Justin,
> 
> 
>  Thanks for the help
> 
>  i have installed it correctly,
> 
> while i executing the command i get this error
> *
> Command:
> 
> grompp -f md.mdp -p fws.top -c fws_b4md.pdb -np 2 -o fws_md.tpr*
> 
> *Error:
> 
> 
> -------------------------------------------------------
> Program grompp, VERSION 4.0.5
> Source code file: statutil.c, line: 727
> 
> Invalid command line argument:
> -np
> -------------------------------------------------------
> 
> *Help me in this,
> 
> Thanks & Regards
> 
> Mahendran

-- 
========================================

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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