[CP2K:6183] QM/MM with Force Mixing and massive Adaptive Langevin thermostat

Lauri Himanen lauri.... at gmail.com
Thu Mar 5 06:09:23 UTC 2015


Hi, and thanks for the quick response.

I ran those tests and the pure MM version runs fine, but the serial version 
still crashes in the same way.
Tell me If you want any input or output files.

keskiviikko 4. maaliskuuta 2015 15.21.54 UTC+2 Noam Bernstein kirjoitti:
>
> I'd be happy to take a look, since I wrote that code.  Any chance you 
> could reproduce this with pure MM, and can you test whether it's tied 
> to running serial vs. parallel? 
>
>      Noam 
>
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