[Pw_forum] need help

[vega]

>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://lists.quantum-espresso.org/pipermail/users/attachments/20080910/cd3319c5/attachment.html>