[Pw_forum] parallel compiling
stargmoon at yahoo.com
Tue Sep 19 00:00:55 CEST 2006
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.
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 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.
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