RE: CPU USAGE

From: mahmoud (nanogroup_at_ymail.com)
Date: Sun Jul 19 2009 - 04:15:08 CDT

Daer Gumbart,
 
Thank you very much for your kind help, the problem is solved.
 
However,
[1] can we define the usage memory for the program in windows?
 
[2] can we install NAMD on Fedora11? If No, please tell me which version of Linux is needed? OpenSuse?
 
 
Thank you very much again.
 
Mahmoud <
 
 
 

--- On Sun, 7/19/09, JC Gumbart <gumbart_at_ks.uiuc.edu> wrote:

From: JC Gumbart <gumbart_at_ks.uiuc.edu>
Subject: RE: namd-l: CPU USAGE
To: "'mahmoud mirzaei'" <nanogroup_at_ymail.com>, akohlmey_at_cmm.chem.upenn.edu
Cc: namd-l_at_ks.uiuc.edu
Date: Sunday, July 19, 2009, 5:16 AM

Did you try adding +p4 to your namd command (i.e. namd2 +p4  xxx.conf > xxx.log ) ?  I think this is mentioned somewhere in the release notes.
 
 

From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of mahmoud mirzaei
Sent: Saturday, July 18, 2009 11:07 PM
To: akohlmey_at_cmm.chem.upenn.edu
Cc: namd-l_at_ks.uiuc.edu
Subject: Re: namd-l: CPU USAGE
 

Dear Axel,

 

Thanks for your e-mail.

 

I real installed NAMD and have problems with the CPU Usage...!

 

If you have information to solve this problem, please let me know!

 

 

 

Thanks,

Mahmoud<

--- On Sat, 7/18/09, Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu> wrote:

From: Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu>
Subject: Re: namd-l: CPU USAGE
To: "mahmoud mirzaei" <nanogroup_at_ymail.com>
Cc:
Date: Saturday, July 18, 2009, 4:50 PM

On Sat, 2009-07-18 at 09:14 -0700, mahmoud mirzaei wrote:

dear mahmoud,

your problem sounds like a PEBCAC-type problem,
and it is impossible to give other advice than
having a closer look at the installation instructions
and documentation, and then post to the _gromacs_
mailing list in case you need further help with that.

this is the NAMD mailing list and (most?) people here would
appreciate it, if you would only post questions that are
related to NAMD, its implementation, and use.

thanks,
     axel.

> Hello Dear NAMD Users,
>


> I have installed Gromacs 4 on a Quad PC.

> However, when I RUN the example (nanotube), the CPU usage is just 25%.
> It means that just one of the four CPUs are used.

> Please help me how I can change the status of calculation for using
> all of the four CPUs.

> Thank you very much in advance.

> Mahmoud<
>

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.
 


      

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