First Phase: integral generation and transformation of AUX index
Angular momenta (0,0)
Angular momenta (0,1)
Angular momenta (0,2)
Angular momenta (0,3)
Angular momenta (1,1)
Angular momenta (1,2)
Angular momenta (1,3)
Angular momenta (2,2)
Angular momenta (2,3)
Angular momenta (3,3)
Closing buffer MNV (24.01 GB; CompressionRatio= 1.00)
Collecting buffer MNV
Finished transformation of the aux-index in 1768.149 sec
Mapping the MO pairs ... done
Getting memory ... done
Second Phase: sorting and transformation of MO indices
Memory available ... 3627 MB
Max. # Aux fcns treated in a batch ... 311*8
Initializing the MO transformation process ... done
Process 3: Batch 0: Q=1599 ... 1909
Process 1: Batch 0: Q= 533 ... 843
Process 2: Batch 0: Q=1066 ... 1376
Process 0: Batch 0: Q= 0 ... 310
Process 4: Batch 0: Q=2132 ... 2442
Process 5: Batch 0: Q=2665 ... 2975
Process 6: Batch 0: Q=3198 ... 3508
Process 7: Batch 0: Q=3731 ... 4041
Reading ... done
Transforming ... Process 6: Batch 1: Q=3509 ... 3730
Process 2: Batch 1: Q=1377 ... 1598
Process 4: Batch 1: Q=2443 ... 2664
Process 5: Batch 1: Q=2976 ... 3197
Process 1: Batch 1: Q= 844 ... 1065
done
Process 0: Batch 1: Q= 311 ... 532
Reading ... Process 3: Batch 1: Q=1910 ... 2131
Process 7: Batch 1: Q=4042 ... 4262
done
Transforming ... done
Closing buffer VIJ ( 0.22 GB; CompressionRatio= 1.00)
Closing buffer VAI ( 5.78 GB; CompressionRatio= 1.00)
Closing buffer VAB (39.17 GB; CompressionRatio= 1.00)
Finished transformation of the MO indices in 342.761 sec
Initializing the sorting process ... done
IJ-Resorting
# of internal pairs ... 6786
# batches for internal pairs ... 1
Reading ... done
Writing ... done
ORCA finished by error termination in MP2
Calling Command: mpirun -np 8 /ab-initio/orca/orca_mp2_mpi b3-dsd.mp2inp.tmp b3-dsd
[file orca_tools/qcmsg.cpp, line 458]:
.... aborting the run