Sorry Axel, I actually didn't think this was a bug in the program, but rather a bug in myself. I had no expectations of anyone to fix anything, just to point me in the right direction, even if that means upgrading the software. I will do this, and if the problem persists, I'll be back.
Eric >From: "Axel Kohlmeyer" <akohlmey at cmm.chem.upenn.edu> >Reply-To: pw_forum at pwscf.org >To: pw_forum at pwscf.org >Subject: Re: [Pw_forum] vc-relax >Date: Mon, 11 Sep 2006 15:45:01 -0400 > >>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. > >cheers, > axel. > > >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. >> >>Eric >> >> > > >-- >======================================================================= >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
