From: neville forlemu (neville_forlemu_at_yahoo.com)
Date: Thu Mar 25 2010 - 21:16:08 CDT
Hello,
I understand NAMD2.7b2 has the metadynamics patch included. I was wondering whether somebody who has used it before can comment on how well it speeds up convergence of rare events, and secondly whether one can use a multiple walker strategy with this metadynamics colvar module as is implemented in the NAMD/PLUMED compilation.
Thanks
Neville
________________________________
From: Axel Kohlmeyer <akohlmey_at_gmail.com>
To: Priyan Amaras <priyan.amaras_at_yahoo.com>
Cc: namd-l_at_ks.uiuc.edu
Sent: Wed, March 24, 2010 11:41:50 PM
Subject: Re: namd-l: NAMD with two GPUs
perhaps your system is not large enough?
i assume you do use two processors.
a.
On Wed, Mar 24, 2010 at 10:35 PM, Priyan Amaras <priyan.amaras_at_yahoo.com> wrote:
> Hi Everyone,
> I running simulations with two GPUs. I use this command to run the
> simulation.
>
> ./charmrun ++local +p<procs> ./namd2 +idlepoll +devices 0,1 <configfile>
>
> But the simulation speed with two GPUs is no different from the speed with
> only one GPU.
>
> Do I have to do anything else in order to utilize the second GPU?
>
> Thanks,
> Priyan
>
>
--
Dr. Axel Kohlmeyer akohlmey_at_gmail.com
http://sites.google.com/site/akohlmey/
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.
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