* [MAQAO] Info: Detected 1 Lprof instances in ip-172-31-38-240.ec2.internal.
If this is incorrect, rerun with number-processes-per-node=X
miniqmc not built from git repository
number of ranks : 1, number of accelerators : 0
Number of orbitals/splines = 3072
Tile size = 3072
Number of tiles = 1
Number of electrons = 6144
Rmax = 1.7
AcceptanceRatio = 0.5
Iterations = 5
MPI processes = 1
OpenMP threads = 64
Number of walkers per rank = 64
SPO coefficients size = 1572864000 bytes (1500 MB)
delayed update rank = 32
Using the reference implementation for Jastrow,
determinant update, and distance table + einspline of the
reference implementation
==================================
Use --enable-timers= command line option to increase or decrease level of timing information
Stack timer profile
Timer Inclusive_time Exclusive_time Calls Time_per_call
Setup 0.0809 0.0809 1 0.080918461
ParticleSet:::update 0.0000 0.0000 1 0.000002378
Total 153.9363 0.1999 1 153.936283098
Diffusion 98.0007 0.0700 5 19.600137723
Complete Updates 1.1405 0.0001 5 0.228090187
DeterminantRef::update 1.1404 1.1404 10 0.114039748
Current Gradient 5.0112 0.0767 30720 0.000163124
DeterminantRef::ratio 4.8906 4.8906 30720 0.000159199
OneBodyJastrowRef 0.0256 0.0256 30720 0.000000835
TwoBodyJastrowRef 0.0182 0.0182 30720 0.000000593
Kinetic Energy 0.9313 0.9303 5 0.186257051
OneBodyJastrowRef 0.0005 0.0005 5 0.000107888
TwoBodyJastrowRef 0.0004 0.0004 5 0.000082500
New Gradient 15.1686 0.0728 30720 0.000493769
DeterminantRef::ratio 0.1630 0.1630 30720 0.000005307
DeterminantRef::spovgl 13.6813 0.2203 30720 0.000445355
Single-Particle Orbitals 13.4610 13.4610 30720 0.000438182
OneBodyJastrowRef 0.1655 0.1655 30720 0.000005387
TwoBodyJastrowRef 1.0860 1.0860 30720 0.000035351
ParticleSet:::acceptMove 12.8064 0.0427 15371 0.000833152
DTAAOMPTarget::update_e_e 12.6878 12.6878 15371 0.000825438
DTABOMPTarget::update_ion_e 0.0758 0.0758 15371 0.000004934
ParticleSet:::computeNewPosDT 2.1902 0.0393 30720 0.000071295
DTAAOMPTarget::move_e_e 1.9388 1.9388 30720 0.000063113
DTABOMPTarget::move_ion_e 0.2120 0.2120 30720 0.000006902
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001265
Update 60.6826 0.0287 15371 0.003947865
DeterminantRef::update 59.0300 59.0300 15371 0.003840352
OneBodyJastrowRef 0.0077 0.0077 15371 0.000000503
TwoBodyJastrowRef 1.6162 1.6162 15371 0.000105145
Initialization 10.5237 4.9788 1 10.523674005
DeterminantRef::inverse 2.4246 2.4246 2 1.212312125
DeterminantRef::spovgl 2.6227 0.0414 2 1.311342240
Single-Particle Orbitals 2.5813 2.5813 6144 0.000420137
OneBodyJastrowRef 0.0108 0.0108 1 0.010798801
ParticleSet:::update 0.3589 0.2519 2 0.179431857
DTAAOMPTarget::evaluate_e_e 0.0833 0.0833 1 0.083325426
DTABOMPTarget::evaluate_ion_e 0.0236 0.0005 1 0.023630093
DTABOMPTarget::offload_ion_e 0.0232 0.0232 1 0.023162983
TwoBodyJastrowRef 0.1279 0.1279 1 0.127911122
Pseudopotential 45.2121 0.2194 5 9.042411927
DeterminantRef::spoval 35.1162 0.7377 10215 0.003437713
Single-Particle Orbitals 34.3785 34.3785 122580 0.000280458
OneBodyJastrowRef 0.1146 0.1146 10215 0.000011215
ParticleSet:::update 7.5829 0.0394 10215 0.000742334
DTABOMPTarget::evaluate_e_virtual 6.8036 0.0148 10215 0.000666045
DTABOMPTarget::offload_e_virtual 6.7888 6.7888 10215 0.000664591
DTABOMPTarget::evaluate_ion_virtual 0.7399 0.0121 10215 0.000072435
DTABOMPTarget::offload_ion_virtual 0.7278 0.7278 10215 0.000071249
TwoBodyJastrowRef 2.1789 2.1789 10215 0.000213308
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 9.64257e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.51462e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 5.34353e+07
