[CP2K-user] [CP2K:16583] Geometry optimization-Job terminated with error
Najmeh Zahabi
n.zahabi1995 at gmail.com
Fri Feb 11 11:01:41 UTC 2022
Hi,
I am trying to optimize an organic molecule in cp2k. I already optimized
the Ethylene in cp2k and the results are well. But when I do the same for
PEDOT as an organic molecule I get "Program received signal SIGBUS: Access
to an undefined portion of a memory object." in the error file and "job
terminated with error" at the end of my output file.
I greatly appreciate it if could tell me what I am doing wrong? My files
are attached.
Best
Najmeh,
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