Re: NAMD on IBM pSeries (690, 655)

From: Gengbin Zheng (gzheng_at_ks.uiuc.edu)
Date: Tue Jun 07 2005 - 14:05:07 CDT

You may want to put -procs 32 before "> my.log".
Make sure NAMD is running on 32 processors (see the startup screen printout)

Gengbin

Dong Luo wrote:

>I happenly found out that I can simply use poe instead
>of charmrun to start parallel running of NAMD on p690.
>The script is like this:
>#!/bin/csh -f
> poe ./namd2 my.namd > my.log -procs 32
>exit
>It works in my case.
>
>--- Dong Luo <us917_at_yahoo.com> wrote:
>
>
>
>>The interactive node is in p655, batch job should
>>run
>>on nodes in p690. The user can't access these p690
>>nodes interactively. Job submitting is through LSF
>>command bsub to the queues. Now I downloaded the
>>namd_2.5_IBM-SP to my home directory which is the
>>same
>>for all nodes. The question is I have no idea how to
>>setup my account and how to create nodelist file to
>>make NAMD work. Any help will be appreciated.
>>
>>
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