Re: installation of namd in parallel mode

From: Andreas Förster (docandreas_at_gmail.com)
Date: Mon Feb 15 2010 - 03:46:03 CST

Dear Ipsita,

to emphasize Mert's point, when you use charmrun, you have to give the
full path to namd2, like so:

charmrun /full/path/to/namd2 ++local +p4 mem > mem.log&

Hope that helps.

Andreas

On 13/02/2010 7:40, ipsita basu wrote:
> Dear all,
> I compile namd2.6 in Linux chem.com <http://chem.com>
> 2.6.9-5.ELsmp #1 SMP Wed Jan 5 19:30:39 EST 2005 i686 i686 i386
> GNU/Linux machine following notes.txt which is distributed along with
> it. But how can I run namd in parallel mode. I tried the following commands:
> 1.charmrun namd2 +p4 mem > mem.log&
> but found error like
> Charmrun> Error 1 returned from rsh (localhost:0)
> 2. charmrun namd2 ++local +p4 mem > mem.log&
> but doesn't run
> 3. charmrun namd2 ++local popc > popc.log&
> but the job is aborted immediately and the log file write only
> execve failed to start process "namd2" with status: -1
> So please help me. Is there any difference in installation for a single
> processor anp multiple processor?
> Please help me.
>
> Thanking You
> Ipsita Basu
>
>
>
>
>
> --
> Ipsita Basu
> Research Fellow
> c/o : Dr. Chaitali Mukhopadhyay
> Rajabazar Science College
> 92 APC Road
> Kolkata - 700009

-- 
         Andreas Förster, Research Associate
         Paul Freemont & Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
             http://www.msf.bio.ic.ac.uk

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:22:43 CST