etabel at hotmail.com
Mon Sep 11 22:15:28 CEST 2006
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.
>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
>>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
>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.
>Pw_forum mailing list
>Pw_forum at pwscf.org
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