[Bulk] [gmx-users] [Fwd: found problem in continual run]

Yang Ye leafyoung81-group at yahoo.com
Mon Nov 14 09:37:36 CET 2005

You have used "-np 2" for grompp to generate a tpr for parallel running 
on two nodes. Correspondingly, you need to use "mdrun -np 2" to run the tpr.


David van der Spoel wrote:

>-------- Forwarded Message --------
>From: chiloo Laohpongspaisan <chiloo77 at yahoo.com>
>To: spoel at gromacs.org
>Subject: found problem in continual run
>Date: Sun, 13 Nov 2005 18:21:46 -0800 (PST)
>Dr. David,
>i face the problem in md running. i don't know what's wrong because this
>job is continual and i ran the simulation 9 ns before and need a little
>more but i've found an error as follow:
>Reading file md10.tpr, VERSION 3.2.1 (single precision)
>Fatal error: run input file md10.tpr was made for 2 nodes,
>             while mdrun expected it to be for 1 nodes.
>Please suggest me,
>Best regards,
>Yahoo! FareChase - Search multiple travel sites in one click.

Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Tel: 6316-2884

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