Errors when calculating the frequencies


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Just Got Here
Quote:Edoapra Sep 18th 11:34 pm
add this line just before "task dft freq"

set fock:mirrmat f





It still didn't work. The error is like:


......
Parallel integral file used  349394 records with       0 large values

 stpr_wrt_fd_from_sq: overwrite of existing file:
/disk/rdisk08/jinfchen/temp/Co-II-AN-freq.hess
stpr_wrt_fd_dipole: overwrite of existing file
/disk/rdisk08/jinfchen/temp/Co-II-AN-freq.fd_ddipole

HESSIAN: the one electron contributions are done in     203.1s


HESSIAN: 2-el 1st deriv. term done in                 35945.7s


HESSIAN: 2-el 2nd deriv. term done in                  1130.1s

 stpr_wrt_fd_from_sq: overwrite of existing file:
/disk/rdisk08/jinfchen/temp/Co-II-AN-freq.hess
stpr_wrt_fd_dipole: overwrite of existing file
/disk/rdisk08/jinfchen/temp/Co-II-AN-freq.fd_ddipole

HESSIAN: the two electron contributions are done in   41496.5s


=========================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 9
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=========================================================================
APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)