Dear Dr. Ong, Thanks for your advice. Everything works fine now. ? Regards? Chinedu Ekuma
Department of Physics and Astronomy??????????????????????????????????????????????? Louisiana State University??????????????????????????????????????????????????? ? ? ? ________________________________ From: Ong Phuong Khuong <on...@ihpc.a-star.edu.sg> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Sunday, October 30, 2011 8:53 PM Subject: Re: [Wien] Error in Parallel Optical Calculations Hi, ? I think there is one error with join for optic in version 11. 1. The problem is, join code looks for files case.symmat1/2$updn but it cannot find them. These file should be created by optic. ? To overcome, you just create these files ( EMPTY files) and it will work !!! Crazy? No, it is nice! I think in the new version we may see new functions with these files ( I guess J). ? For WIEN2k version 10, this error never happen. You can check x file between two versions to see a different at join ( line 854 onward) ?Good luck! ? Regards, Khuong ? ======================================================= Dr. Khuong P. Ong Research Scientist ?Optics and Transport ?Materials Science & Engineering Department Institute of High Performance Computing 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632 Mob:????? +65. 81885057 Tel(Off): +65. 64191566 Fax:????? +65. 64632536 ======================================================= ? From:wien-bounces at zeus.theochem.tuwien.ac.at [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Chinedu Ekuma Sent: Monday, October 31, 2011 8:25 AM To: Wien at zeus.theochem.tuwien.ac.at Subject: [Wien] Error in Parallel Optical Calculations ? Dear Wien2k Users, I have ran a given calculation to convergence in parallel. The calculation is for spin-polarization without spin-orbit. I am using wien2k version 11.1 in intel compiler. Every other thing works fine but when I try to do the optical calculations, it runs perfectly until I x joint -up / dn -p with the error message "Joint Error. Below are the steps I utilized. 1. x lapw2 -fermi -up -p 2. x lapw2 -fermi -dn -p 3. x optic -up -p 4. x optic -dn -p 5. x joint -up -p (error occurs. I have tried it without the -p and it also comes up with the same error). ? Your advise will be highly appreciated ? ? Regards? Chinedu Ekuma Department of Physics and Astronomy??????????????????????????????????????????????? Louisiana State University??????????????????????????????????????????????????? ? ? ? ? ?1991-2011 - Creating Growth, Enhancing Lives. Commemorating A*STAR?s 20 Years of Science, Technology and Research in Singapore.? IHPC Values :: Impact :: Honesty :: Performance :: Co-operation This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you. _______________________________________________ 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/20111030/f06485ef/attachment.htm>
