[CP2K:4719] dbcsr error when applying periodic efield

David Stelter base... at gmail.com
Wed Oct 23 15:26:57 UTC 2013

Ole - I've attached all necessary AMBER parm files.
Teo - The input runs without the PERIODIC_EFIELD section present. 

Thanks for the quick responses!

On Wednesday, October 23, 2013 10:32:45 AM UTC-4, Teo wrote:
> Does the same input runs ok without PERIODIC_EFIELD?
> Because you get a pretty clean assertion failed, I would exclude any issue 
> with compilation.
> It can be a missing "unimplemented feature"…
> On Oct 23, 2013, at 4:22 PM, David Stelter <bas... at gmail.com<javascript:>> 
> wrote:
> Hi All,
> I am trying to run a 10-mer stack of DNA with applied electric field. 
> However, when applying the field (PERIODIC_EFIELD) I get a dbcsr and 
> libdbcsr error which from my understanding is a bug in cp2k or a problem 
> with the compilation on the machine. 
> I do not have access to the compilation of cp2k on the machine, but have 
> tried it on an IBM Bladecenter and BlueGene/Q both obtaining the same 
> error. Both machines are running cp2k 2.4. I've also done a test with the 
> field applied to a single water which runs fine on both machines. I've 
> attached both my input and output file.
> Thanks,
> David
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