akohlmey at cmm.chem.upenn.edu
Mon Sep 11 21:45:01 CEST 2006
> This is really the first problem I have encountered using PWSCF where things
> didn't behave as they should. Could it be that I am using 2.1?
do you have a specific reason to use version 2.1?
did you check with the current version?
please don't expect people to fix problems in obsolete
versions of the package.
ps: when reporting problems, please _always_ report the version of the code
your are using and the platform you are running on. this makes isolating the
problem _so_ much easier. there is nothing more frustrating than locating a
bug and then seeing that this bug has already been fixed in a later version
of the code or that the code was compiled with a compiler that is known to
miscompile the code.
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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