Warning : ERROR CODE RETURNED FROM CP-SCF PROGRAM
Codes : res=1,cmd=RUN_CPSCF
Consequence: aborting the Z-vector calculation
Please check usio.proc10.cpout for details
[file orca_scfhess/scfhess2.cpp, line 1990]: Error (ORCA_SCFHESS): Solution of the CP-SCF equations failed.
[file orca_scfhess/scfhess2.cpp, line 1990]: Error (ORCA_SCFHESS): Solution of the CP-SCF equations failed.
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[9641,1],10]
Exit code: 125
--------------------------------------------------------------------------
ORCA finished by error termination in SCF Hessian
Calling Command: mpirun -np 12 /home/lab/software/orca401/orca_scfhess_mpi usio.scfhess.inp
[file orca_tools/qcmsg.cpp, line 432]:
.... aborting the run
[file orca_tools/qcmsg.cpp, line 432]:
.... aborting the run
请教各位老师如何解决？