[Wien] compilation problem

2012-08-07 Thread AJAY SINGH VERMA
write others in R option. thank u ajay -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120807/371aba66/attachment.htm>

[Wien] compilation problem

2012-08-07 Thread Jameson Maibam
ajay ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/

[Wien] compilation problem

2012-08-07 Thread Fecher, Gerhard
? Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Jameson Maibam [j.maibam_official at yahoo.com] Gesendet: Dienstag, 7. August 2012 08:03 An: A

[Wien] lapw1c error

2012-08-07 Thread hazem salem
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[Wien] lapw1c error

2012-08-07 Thread Laurence Marks
el_lp64.so: > cannot open shared object file: No such file or directory > > > > So what is the problem? do I miss something? > > Thanks > Hazem > > > > -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120807/0f199044/attachment.htm>

[Wien] wien

2012-08-07 Thread Alexey Korshunov
wrong forces? Sincerely, Korshunov Alexey, Sarov State Physical Tecnical Institute, Russia. al.korshunof at gmail.com -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120807/fde677c3/attachment-0001.htm>

[Wien] wien

2012-08-07 Thread Kateryna Foyevtsova
Hi, according to the wien2k web page http://www.wien2k.at/reg_user/limitations/ calculation of forces with spin-orbit is not yet implemented. On 07/08/12 16:05, Alexey Korshunov wrote: > Prof. Blaha and wien users. > > I am running wien version 11.1 on a intel core i7 machine with

[Wien] wien

2012-08-07 Thread Laurence Marks
Yes, they are not implemented which really means that with -so the forces are incorrect. You have to run a position optimization without -so and as the final step when these are zero include -so. You have to hope that -so does not change the positions much. While this is not ideal, until/if someone

[Wien] lapw1c error

2012-08-07 Thread hazem salem
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[Wien] lapw1c error

2012-08-07 Thread Laurence Marks
ssh running_node ldd $WIENROOT/lapw1c http://linux.about.com/library/cmd/blcmdl1_ldd.htm http://www.cyberciti.biz/tips/linux-shared-library-management.html http://www.wien2k.at/reg_user/faq/ifort.html The sections on shared libraries in http://www.ghfecher.de/Fecher_CompileIntel.pdf On Tue, Aug 7