输出文件提示：
ORCA finished by error termination in SCF
Calling Command: mpirun -np 6 /home/xy/orca_4_1_2/orca_scf_mpi ./xray_dimer.gbw b ./xray_dimer
[file orca_tools/qcmsg.cpp, line 458]:
.... aborting the run
同时terminal显示：
Signal: Segmentation fault (11)
Signal code: (128)
Failing at address: (nil)
--------------------------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun noticed that process rank 3 with PID 0 on node Ada exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------
[file orca_tools/qcmsg.cpp, line 458]:
.... aborting the run