[DFTB-Plus-User] Segmentation fault in REKS
Ben Hourahine
benjamin.hourahine at strath.ac.uk
Sat Oct 3 15:57:30 CEST 2020
Hello Stefano,
this _should_ have worked, but hits a bug that was fixed since the last
release. If you can compile the current development code from github
that will run successfully, or the 20.2 release should be in ~November.
Regards
Ben
On 02/10/2020 18:49, Crespi, Stefano wrote:
> Hello,
>
> I wanted to ask if it is possible to optimize molecules using reks.
> I am very new to the code and I am now starting some test runs.
> I am modifying the si-sa-reks examples from the recipes, adding Driver
> to try to perform the optimization
> No matter which driver I am adding, the code just ends after one cycle
> with
--
Dr. B. Hourahine, Senior lecturer
SUPA, Department of Physics,
University of Strathclyde,
John Anderson Building,
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+44 141 548 2325, benjamin.hourahine at strath.ac.uk
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