[Wien] fictitious planewave construction for local orbits

2009-07-10 Thread phlhj phlhj
much. Best, Wenmei Ming -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090710/122ca221/attachment.htm>

[Wien] How can I run the job on the background?

2009-07-10 Thread Tomohiko Tasaka
Hello, Sorry, I don't remember the details and just now I don't have the environment to reproduce the problem I met before. The problem is that second parallel job was not executed, when with the following conditions. - use remote shell ( rsh/ssh ) to invoke the another machine's executables. -

[Wien] (no subject)

2009-07-10 Thread Peter Blaha
What is the name of your directory ? Is it really 120128.admin1 ? You need to have files case.rsp case.rspup case.rspdn, where case is the same as your name of the directory. If these files are missing,x lstart will generate them again. Yin Wanjian schrieb: > Dear Wien2K users, > >

[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-10 Thread E B Lombardi
University of South Africa > P.O. Box 392 > UNISA 0003 > Pretoria > South Africa > > Tel: 012 429 8654 / 8027 > Fax: 012 429 3643 > E-mail: lombaeb at unisa.ac.za<mailto:lombaeb at science.unisa.ac.za> > > > ___ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- Dr E B Lombardi Physics Department University of South Africa P.O. Box 392 UNISA 0003 Pretoria South Africa Tel: +27 (0)12 429 8654 / 8027 Fax: +27 (0)12 429 3643 E-mail: lombaeb at science.unisa.ac.za -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090710/3a7c0958/attachment.htm>

[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-10 Thread Oleg Rubel
I am running WIEN2k_08.3 (Release 18/9/2008). Regards, Oleg >>> E B Lombardi 07/10/09 4:49 AM >>> Thank you for the details. Regarding your version of Wien2k: which version are you running (from the directory names it seems v8)? (If there were any other responses on the W2k mailing-list, I may

[Wien] WIEN2PHON

2009-07-10 Thread "Paweł Leśniak, IFMPAN"
uot;) type: install Math::MatrixReal and quit afterwards. It's a bit more tricky if you don't have root privileges. Good luck Pawel Lesniak -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090710/5903179e/attachment.htm>

[Wien] WIEN2PHON

2009-07-10 Thread Atta-fynn, Raymond
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