...
MO= 86 HAS ATOM(S)= 30
WITH WEIGHT(S)= 1.00
... DONE WITH LCAO RELATIVE ATOMIC WEIGHTS SQUARED ...
CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 69.2 ( 1.2 MIN)
TOTAL WALL CLOCK TIME= 69.5 SECONDS, CPU UTILIZATION IS 99.63%
4585923 WORDS OF DYNAMIC MEMORY USED
EXECUTION OF GAMESS TERMINATED NORMALLY 15:02:40 06-AUG-2024
When extloc us changed to splitq2, it becomes
MO= 86 HAS ATOM(S)= 19 20
WITH WEIGHT(S)= 0.51 0.49
... DONE WITH LCAO RELATIVE ATOMIC WEIGHTS SQUARED ...
CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 72.3 ( 1.2 MIN)
Where is the bug in test none in quao-bug?
It can finish, using GAMESS 2024 R2 Patch 1
... MO= 86 HAS ATOM(S)= 30 WITH WEIGHT(S)= 1.00 ... DONE WITH LCAO RELATIVE ATOMIC WEIGHTS SQUARED ... CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 69.2 ( 1.2 MIN) TOTAL WALL CLOCK TIME= 69.5 SECONDS, CPU UTILIZATION IS 99.63% 4585923 WORDS OF DYNAMIC MEMORY USED EXECUTION OF GAMESS TERMINATED NORMALLY 15:02:40 06-AUG-2024
When extloc us changed to splitq2, it becomes
MO= 86 HAS ATOM(S)= 19 20 WITH WEIGHT(S)= 0.51 0.49 ... DONE WITH LCAO RELATIVE ATOMIC WEIGHTS SQUARED ... CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME= 72.3 ( 1.2 MIN)
Ubuntu Ubuntu1~18.04 Gfortran 7.5
Intel MPI, i.e., l_mkl_2018.3.222.
The input is from the test.
...
Test hpo also has these,
Very Best Regards!