[gmx-users] Error: mdrun expects it for 1 node

[David van der Spoel]

On Tue, 2005-06-14 at 16:49 +0800, Jeffrey Chua wrote:
> Thank you "T.A.Wassenaar" for the help.
> 
> I encountered something new.  Whenever i try to do an mdrun on 11
> nodes (parallel), I get the following message:
> 
> Back Off! I just backed up md.log to ./#md.log.2#
> Reading file pepgromp.tpr, VERSION 3.2.1 (double precision)
> Fatal error: run input file pepgromp.tpr was made for 11 nodes,
>              while mdrun_d expected it to be for 1 nodes.
> 
> It works fine whenever I make the .tpr file using only 1 node...  hope
> somebody could explain this to me in very simple terms since im a very
> very recent user to linux also.
> 
you have run
grompp -np 11

> Thanks.
> 
> Jeff Chua
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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