[CP2K:3500] Re: CI BAND calculation

Axel akoh... at gmail.com
Mon Sep 19 18:56:14 CEST 2011



On Monday, September 19, 2011 4:10:09 AM UTC-4, Nikita wrote:
>
> Thanks, Teo! Hope somebody can help me!
>

you have to help yourself. apparently the segfault 
originates in your BLACS installation. there are multiple
reasons why that can happen. my first guess would be
that it was configured incorrectly. BLACS has its own 
testers and you should run those tests with the same
50 processors, that crash its call in cp2k. testing 
ScaLAPACK and PBLAS/BLACS properly requires
more than just compiling it and running some blind 
tests.

cheers,
     axel.
 

> Best regards,
> Nikita
>
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