Segmentation fault bug in hybrid functional HFX calculations
t... at zurich.ibm.com
Wed Nov 22 17:18:20 CET 2017
yes, in the final computations the EPS_SCHWARZ of course has to be much
smaller. In fact, I just provided a small test case showing the
segmentation fault bug as fast as possible.
For my large system, I still get the segmentation fault for EPS_SCHWARZ
1.0E-4, which, of course, is still quite unprecise, but, as you say, the
error disappears for EPS_SCHWARZ <= 1.0E-6.
In fact, I initially set EPS_SCHWARZ higher in order to test other
parameters quickly, and then wanted to decrease EPS_SCHWARZ finally after
fixing other parameters. That's how the bug showed up initially.
Well, I will try to continue for now like that and hope the bug doesn't
show up any more.
Thanks for the suggestions.
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