[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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