After ABACUS completes the scf calculation of the pw basis set, "BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES" appears. like this:
CG243 -4.97e-01 7.75e+00 -6.431792e+03 1.131020e-04 2.483e-06 2.593e+00
CG244 -4.97e-01 7.75e+00 -6.431792e+03 -1.326852e-04 2.277e-06 3.743e+00
CG245 -4.95e-01 7.75e+00 -6.431792e+03 -3.074012e-06 7.418e-07 2.367e+00
CG246 -4.96e-01 7.75e+00 -6.431792e+03 1.246874e-04 8.012e-07 2.347e+00
CG247 -4.93e-01 7.75e+00 -6.431792e+03 6.287470e-05 9.806e-07 3.176e+00
CG248 -4.95e-01 7.75e+00 -6.431792e+03 -2.028726e-04 8.872e-08 3.214e+00
DONE(5.919e+02 SEC) : cal_overlap_Q
DONE(6.003e+02 SEC) : cal_overlap_Sq
DONE(6.012e+02 SEC) : cal_overlap_Q
DONE(6.094e+02 SEC) : cal_overlap_Sq
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 177624 RUNNING AT cu13
= EXIT CODE: 139
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=============================================
======================================
The corresponding test files are here, Fe.zip.
After ABACUS completes the scf calculation of the pw basis set, "BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES" appears. like this:
The corresponding test files are here, Fe.zip.