AMBER: RE: Query

From: Ross Walker <>
Date: Fri, 27 Jul 2007 08:24:56 -0700

Hi Raghuvir,
To run thermodynamic integration and some of the other replica based methods you have to run in parallel using MPI - however there is nothing to stop you having all the MPI threads running on one processor - you just won't see an advantage to running in parallel - but you will be able to run. In your case if you have a dual processor machine then you will get speedup up to two processors.


From: R G V []
Sent: Thursday, July 26, 2007 23:46
To: Ross Walker
Subject: Re: Query

Hello Sir
I have a small problem
I have a dual core processor single machine
I do not have parallel machines
Can I run the job one at a one single processor (i know that it may be time consuming)
Please help me out
sincere regards raghuvir

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Received on Sun Jul 29 2007 - 06:07:38 PDT
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