dbcsr error when applying periodic efield
David Stelter
base... at gmail.com
Wed Oct 23 14:22:00 UTC 2013
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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