Re: NAMD on IBM pSeries (690, 655)

From: Dong Luo (
Date: Tue Jun 07 2005 - 14:01:54 CDT

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
It works in my case.

--- Dong Luo <> 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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