[Pw_forum] thank you

vega vegalew at hotmail.com
Thu Sep 11 06:45:15 CEST 2008


>i tried the '-in' option instead of '<' in the command, its working nicely, 
I'm glad to here that.
>thank you very much for your help
you're welcome

vega

=================================================================================
Vega Lew (weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China


From: kola srinivas 
Sent: Wednesday, September 10, 2008 8:45 PM
To: pw_forum at pwscf.org 
Subject: [Pw_forum] thank you


dear vega lew,

i tried the '-in' option instead of '<' in the command, its working nicely, thank you very much for your help, thanks to pw_forum.

yours sincerely,

K.Srinivas


---------- Forwarded message ----------
From: <pw_forum-request at pwscf.org>
Date: Wed, Sep 10, 2008 at 12:56 AM
Subject: Pw_forum Digest, Vol 15, Issue 19
To: pw_forum at pwscf.org


Send Pw_forum mailing list submissions to
       pw_forum at pwscf.org

To subscribe or unsubscribe via the World Wide Web, visit
       http://www.democritos.it/mailman/listinfo/pw_forum
or, via email, send a message with subject or body 'help' to
       pw_forum-request at pwscf.org

You can reach the person managing the list at
       pw_forum-owner at pwscf.org

When replying, please edit your Subject line so it is more specific
than "Re: Contents of Pw_forum digest..."


Today's Topics:

  1. Re: need help (vega)


----------------------------------------------------------------------

Message: 1
Date: Wed, 10 Sep 2008 14:09:44 +0800
From: "vega" <vegalew at hotmail.com>
Subject: Re: [Pw_forum] need help
To: "PWSCF Forum" <pw_forum at pwscf.org>
Message-ID: <BAY124-DS33FD2D0EE1063BC858143A4570 at phx.gbl>
Content-Type: text/plain; charset="iso-8859-1"

>According to the process pid it is showing that in all nodes the job has distributed, but doing nothing.

what do you mean by 'doing nothing'?

I think you can try to use '-in' instead of '<' in command line.
for example, if you type pw.x < inputfile > outputfile, nothing printed on the screen.
Then you could try to type pw.x -in inputfile > outputfile.

hope helps.

by the way I also encounter another situation. If the subnet mask is not consistent among the clusters, problems may be happen. so you may check the subnet mask.

=================================================================================
Vega Lew (weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China


From: kola srinivas
Sent: Wednesday, September 10, 2008 2:00 PM
To: pw_forum at pwscf.org
Subject: [Pw_forum] need help


Respected Sir,

I am doing some adsorption studies with anatase(101) surface with ultrasoft pseudopotentials. my surface model is 2x1x2 with 15 angstroms vaccum space. I am able to run in parallel with water adsorbed on the TiO2 surface. the moment when i replaced water molecule with 2-Cyano-3-phenyl-acrylic acid it is not doing any calculations in parallel. According to the process pid it is showing that in all nodes the job has distributed, but doing nothing. I tried with several options with npool and number of processors. please help me in this regard.


yours sincerely,

K.Srinivas




--------------------------------------------------------------------------------





--------------------------------------------------------------------------------


_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080911/602cbfa7/attachment.htm 


More information about the Pw_forum mailing list