Thanks a lot for your reminder, I do not know this before. But I know it seems that pgi6.1 does not work for WIEN2k. That is why I chose pgi5.2 here. Best, Stargmoon
Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu> wrote: On 9/18/06, stargmoon wrote: > Thanks a lot Eyvaz for your reminder. Actually, every time before I run > ./configure I load moduli "pgi52 and mpich-pgi". wait. regardless of whether you can get a successful compile or not. pgi version 5.2 is known to miscompile QE (and other similar codes). so you should try a different options. furthermore, as i was trying to say. even with using the modules utility, packages are usually installed differently on most machines and sometime the slightest difference can be the reason for configure to pick up the right flags or not. axel. > > Best > > [...] -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot. _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum --------------------------------- Stay in the know. Pulse on the new Yahoo.com. Check it out. -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20060918/1043c85f/attachment.htm
