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Problem with jx calculations
Date: 2020/07/31 03:58
Name: Elie Moujaes

Dear Prof. Ozaki / others,

I am performing a calculation to obtain exchange parameters for a 32 atom system.
I have done the scf calculation and saved the scfout file was successfully obtained.
I started the JX calculation; however the code stops after the 1 16 interaction with an error:

1 15 -1 1 0 -0.000372953005 -0.000027411541 0.00000 1.38202
1 15 -1 -1 0 0.088905687756 0.006534447584 0.00000 1.38159
1 15 1 1 0 -0.005684219943 -0.000417782464 0.00000 1.37952
1 16 -1 0 0 -0.105051548197 -0.007721146449 0.00000 0.90056
1 16 0 -1 0 -0.007373274212 -0.000541925664 0.00000 0.89982
1 16 1 -1 0 0.090108164596 0.006622828003 0.00000 0.89855
1 16 -1 1 0 -0.001685814404 -0.000123905074 0.00000 0.89996
1 16 -1 -1 0 -0.044937741304 -0.003302863096 0.00000 0.89975
1 16 1 1 0 0.002044664441 0.000150280066 0.00000 0.90245

===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 24338 RUNNING AT kcn486.local
= EXIT CODE: 11
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Segmentation fault (signal 11)
This typically refers to a problem with your application.
Please see the FAQ page for debugging suggestions


I have checked the configuration (.config) file. I could not find anything wrong. What could the source of this error be?

Thanks in advance

Elie Moujaes
e
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