[Pw_forum] vc-relax in QE 4.3.2
giannozz at democritos.it
Wed Nov 16 11:04:31 CET 2011
On Tue, 2011-11-15 at 17:01 -0500, Hanghui Chen wrote:
> I find that at the end of relaxation, the code does a new
> self-consistent calculation. However, if I turn on Hubbard U,
> the code crashes at the last self-consistent calculation due
> to some segmentation fault. If no Hubbard U is used, then
> everything is fine.
I vaguely remember something like this, but nobody has posted
a sample input that exhibits such behavior, can be run in a
reasonable time (i.e. few minutes) on a reasonable machine (i.e.
a PC). If you have such an example, please post it, or even better,
file a bug report on qe-forge:
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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