From: Ramin Ekhteiari (ramin_ekh_at_yahoo.com)
Date: Sat Sep 28 2013 - 04:40:19 CDT
Hi,
You may use mpirun -n<number of clusters> namd2 inputfile....
Ramin.
________________________________
From: Shomesankar Bhunia <rightclickatrighttime_at_gmail.com>
To: namd-l_at_ks.uiuc.edu
Sent: Saturday, September 28, 2013 11:15 AM
Subject: Re: namd-l: NAMD_multiprocessor
Sorry I solved it.
On Sat, Sep 28, 2013 at 1:38 PM, Shomesankar Bhunia <rightclickatrighttime_at_gmail.com> wrote:
Dear all
>I want to run a NAMD based MD simulation using multiprocessor. I am using the command
>
> ./namd2 +p3 min.conf > min.log
>
>
>
>but I am getting
>
>To use multiple processors, you must run this program as:
> > charmrun +p3 ./namd2 <args>
>or build the net-linux-x86_64-iccstatic-smp version of Charm++.
>------------- Processor 0 Exiting: Called CmiAbort -----------
>
>
>
>When i am using
>charmrun +p3 ./namd2 min.conf > min.log
>
>I am getting
>charmrun: command not found
>
>
>How to solve it.
>
>
>
>
>
>
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