[Pw_forum] thank you

[kola srinivas]

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

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Date: Wed, Sep 10, 2008 at 12:56 AM
Subject: Pw_forum Digest, Vol 15, Issue 19
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Today's Topics:

  1. Re: need help (vega)


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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




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