dbcsr error when applying periodic efield

David Stelter base... at gmail.com
Wed Oct 23 16:22:00 CEST 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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