[Pw_forum] something wrong with vc-relax & relax on my clusters

[vega lew]

Dear Users

Thank your for Lorenzo Paulatto, Paolo Giannozz, Stefano Baroni and Axel Kohlmeyer's kindly responding.

According Lorenzo Paulatto's suggestion, I typed mpiexec -n 20 pw.x -in inputfile > outputfile, the job runing successfully. I'm so happy ^_^

Thanks to Axel Kohlmeyer's responding, I learned a lot from it. I't very kind of you to reply me in detail. I'll update my intel compilers to 10.1.015 or later, and recompile my espresso.

Thanks to Lorenzo Paulatto's responding, I note that the default cell dynamic is "none". 

Thank your all again for responding so soon. 

cheers,
 
Vega Lew
PH.D Candidate in Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
_________________________________________________________________
News, entertainment and everything you care about at Live.com. Get it now!
http://www.live.com/getstarted.aspx
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080625/0e57217b/attachment.html>