Geometry optimization-Job terminated with error
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Najmeh Zahabi
Feb 11, 2022, 6:01:41 AM2/11/22
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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 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,
Najmeh,
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