Segmentation Fault
Rizwan Nabi
rizwan... at gmail.com
Tue May 10 12:59:54 UTC 2016
Hi Samuel Andermatt
I am using cp2k.3.0 software as well as 2.4.0 for the PERIODIC-DFT of some
metal clusters including single molecule magnets. My calculations are
running smooth when i run with GGA i.e PBE XC_FUNCTIONAL. However same
calculations with hybrid DFT Method i.e B3LYP gives me above error. I am
confused how to remove this error. Is there any incorrectness in my input
or some other issue please help me. I have given both input file as well as
error file in the attachment.
Regards
Rizwan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160510/70437d21/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Mn19_bs1_b3lyp.inp
Type: chemical/x-gamess-input
Size: 34321 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160510/70437d21/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Mn19_bs1_b3lyp.sh.e434627
Type: application/octet-stream
Size: 1510 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160510/70437d21/attachment.obj>
More information about the CP2K-user
mailing list