Re: installation of namd in parallel mode

From: Mert Gür (gurmert_at_gmail.com)
Date: Sun Feb 14 2010 - 05:51:55 CST

Dear Ipsita,
The command that I use for example is as

/usr/local/bin/NAMD_2.6_Linux-amd64/charmrun
/usr/local/bin/NAMD_2.6_Linux-amd64/namd2 ++local +p16 crambin.conf >
crambin.out&

Maybe you are not showing the right path to charmrun and namd or there is a
name mismatch in your command with your conf file.
I hope this will be of some help.
Best,
Mert

On Sat, Feb 13, 2010 at 9:40 AM, ipsita basu <ibasu788_at_gmail.com> wrote:

> Dear all,
> I compile namd2.6 in Linux 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

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