Quote:Edoapra Sep 18th 11:34 pmadd 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)
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