Thanks once again.
It now working properly.
Again I want to know a technical question. We have a HP DL980 server with 4 CPU and octacore processor. That means total number of processor 32 (4x8=32). So when I run a job in this system what command should I use to get maximum efficiency? Is the following command is correct for such a system or not:
mpirun -np 32 sander.MPI
Thanks for the support
Sindrila
________________________________
From: Jason Swails <jason.swails.gmail.com>
To: Sindrila Dutta banik <sindrila.duttabanik.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Tuesday, 2 October 2012 12:44 AM
Subject: Re: [AMBER] Problem related to the parallel installation of Amber11
On Mon, Oct 1, 2012 at 2:49 PM, Sindrila Dutta banik <
sindrila.duttabanik.yahoo.com> wrote:
> Thanks for your reply
>
> I just copy "export LD_LIBRARY_PATH=$AMBERHOME/bin\:$LD_LIBRARY_PATH" and
> past in .bashrc, and compile it (. ~/.bashrc). But it gives the same error.
> Shall I have to modify this path or anything.
>
Oh shoot. Sorry. That should be:
export LD_LIBRARY_PATH=$AMBERHOME/lib\:$LD_LIBRARY_PATH
It's correct on my wiki:
http://jswails.wikidot.com/installing-amber12-and-ambertools-12#toc10
>
>
> Thanks for your suggestion for not to use root.
>
Note, if it's in your user's .bashrc file, it will not work if you're
compiling as root.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Oct 01 2012 - 13:00:02 PDT
