<div dir="ltr">dear vega lew,<br><br>i tried the '-in' option instead of '<' in the command, its working nicely, thank you very much for your help, thanks to pw_forum.<br><br>yours sincerely,<br><br>K.Srinivas<br>
<br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername"></b> <span dir="ltr"><<a href="mailto:pw_forum-request@pwscf.org">pw_forum-request@pwscf.org</a>></span><br>Date: Wed, Sep 10, 2008 at 12:56 AM<br>
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Today's Topics:<br>
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1. Re: need help (vega)<br>
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Message: 1<br>
Date: Wed, 10 Sep 2008 14:09:44 +0800<br>
From: "vega" <<a href="mailto:vegalew@hotmail.com">vegalew@hotmail.com</a>><br>
Subject: Re: [Pw_forum] need help<br>
To: "PWSCF Forum" <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
Message-ID: <BAY124-DS33FD2D0EE1063BC858143A4570@phx.gbl><br>
Content-Type: text/plain; charset="iso-8859-1"<br>
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>According to the process pid it is showing that in all nodes the job has distributed, but doing nothing.<br>
<br>
what do you mean by 'doing nothing'?<br>
<br>
I think you can try to use '-in' instead of '<' in command line.<br>
for example, if you type pw.x < inputfile > outputfile, nothing printed on the screen.<br>
Then you could try to type pw.x -in inputfile > outputfile.<br>
<br>
hope helps.<br>
<br>
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.<br>
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=================================================================================<br>
Vega Lew (weijia liu)<br>
PH.D Candidate in Chemical Engineering<br>
State Key Laboratory of Materials-oriented Chemical Engineering<br>
College of Chemistry and Chemical Engineering<br>
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China<br>
<br>
<br>
From: kola srinivas<br>
Sent: Wednesday, September 10, 2008 2:00 PM<br>
To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>
Subject: [Pw_forum] need help<br>
<br>
<br>
Respected Sir,<br>
<br>
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.<br>
<br>
<br>
yours sincerely,<br>
<br>
K.Srinivas<br>
<br>
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