Re: [AMBER] ptraj.MPI

From: Sel Ercan <slmrcn.ymail.com>
Date: Tue, 31 Jan 2012 08:41:13 -0800 (PST)

Hi Mr. Case
Firstly thanks for reply.

I did not run "make parallel" in ~/Ambertools/src. Now I will try. But I want to know that should I run it after parallel installation of amber11 or before?



________________________________
 From: David A Case <case.biomaps.rutgers.edu>
To: Sel Ercan <slmrcn.ymail.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Tuesday, January 31, 2012 3:03 PM
Subject: Re: [AMBER] ptraj.MPI
 
On Tue, Jan 31, 2012, Sel Ercan wrote:

> I have installed amber11 parallel with success. But there is not
> parallel version of ptraj in bin directory while sander.MPI and
> pmemd.MPI exist.

What commands did you use to do the installation.  Note that do get parallel
versions of AmberTools, you need to go to amber11/AmberTools/src and type
"make parallel" there (as well as in amber11/src).  This will be simplified in
the next release.

....dac


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