[Pw_forum] vc-relax and LDA+U: Segmentation fault

[Lorenzo Paulatto]

Marino Vetuschi Zuccolini ha scritto:
> My question is: does anyone of you have experience a Segmentation  
> fault using vc-relax and LDA+U just after the wfc convergence has been  
> achieved, starting 'from_scratch'?
>   
Probably some array (may be related to a some specific/newer option of
lda+U) get deallocated at the end of the first scf step but then it is
not reallocated. If you send us a test job we can have a look at it,
otherwise you should compile the code with debug options and find the
exact place where it is crashing.

regards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
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