dbcsr error when applying periodic efield
David Stelter
base... at gmail.com
Wed Oct 23 16:00:11 UTC 2013
For some reason this thread got split, for future notice, please view the
responses here
https://groups.google.com/forum/#!topic/cp2k/yctbUS2ao78
On Wednesday, October 23, 2013 10:22:00 AM UTC-4, David Stelter 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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