Re: how to run namd2.7b1 on multiple nodes

From: Chris Harrison (charris5_at_gmail.com)
Date: Thu Jul 23 2009 - 18:16:08 CDT

try:
charmrun $namddir/namd2 +p$np ++nodelist $nodelist $fconf

:)

Chris

--
Chris Harrison, Ph.D.
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
char_at_ks.uiuc.edu                            Voice: 217-244-1733
http://www.ks.uiuc.edu/~char               Fax: 217-244-6078
On Thu, Jul 23, 2009 at 5:48 PM, Roman Petrenko <rpetrenko_at_gmail.com> wrote:
> Dear all,
>
> is ++nodelist flag obsolete in namd2.7b1?
>
> for namd2.6 i used the following command to run NAMD, but in namd2.7b1
> in the log file it says "found 3 config files...", where $fconf is
> config file
> charmrun $namddir/namd2 $fconf ++nodelist $nodelist +p$np
>
> note, that locally something like:
> charmrun -np $np namd2 $fconf
>
> runs perfectly
> --
> Roman Petrenko
> Physics Department
> University of Cincinnati
>
>

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