[Pw_forum] discrepancy in tests

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Mar 4 12:07:40 CET 2015


On Tue, 2015-03-03 at 18:45 +0900, WANG YUANQING wrote:

> I compiled the newest version (5.1.2), and the same 
> problem occurs. So, the problem comes from the lib bug??

very likely, since there is nothing special in your output
(apart from bad forces). Which compiler and which compiler 
version did you use?

Paolo
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




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