* [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 0.080856606
ParticleSet:::update 0.0000 0.0000 1 0.000002456
Total 153.9995 0.2622 1 153.999536113
Diffusion 97.8147 0.0724 5 19.562937837
Complete Updates 1.1339 0.0000 5 0.226783303
DeterminantRef::update 1.1339 1.1339 10 0.113387064
Current Gradient 5.0761 0.0848 30720 0.000165236
DeterminantRef::ratio 4.9481 4.9481 30720 0.000161071
OneBodyJastrowRef 0.0258 0.0258 30720 0.000000839
TwoBodyJastrowRef 0.0174 0.0174 30720 0.000000568
Kinetic Energy 0.9269 0.9259 5 0.185379179
OneBodyJastrowRef 0.0006 0.0006 5 0.000112800
TwoBodyJastrowRef 0.0004 0.0004 5 0.000086138
New Gradient 15.1261 0.0757 30720 0.000492387
DeterminantRef::ratio 0.1701 0.1701 30720 0.000005538
DeterminantRef::spovgl 13.6351 0.2209 30720 0.000443851
Single-Particle Orbitals 13.4142 13.4142 30720 0.000436661
OneBodyJastrowRef 0.1654 0.1654 30720 0.000005384
TwoBodyJastrowRef 1.0798 1.0798 30720 0.000035148
ParticleSet:::acceptMove 12.9274 0.0455 15371 0.000841022
DTAAOMPTarget::update_e_e 12.7966 12.7966 15371 0.000832516
DTABOMPTarget::update_ion_e 0.0852 0.0852 15371 0.000005543
ParticleSet:::computeNewPosDT 2.1601 0.0398 30720 0.000070316
DTAAOMPTarget::move_e_e 1.9076 1.9076 30720 0.000062097
DTABOMPTarget::move_ion_e 0.2126 0.2126 30720 0.000006922
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000000729
Update 60.3919 0.0303 15371 0.003928949
DeterminantRef::update 58.7266 58.7266 15371 0.003820611
OneBodyJastrowRef 0.0080 0.0080 15371 0.000000523
TwoBodyJastrowRef 1.6270 1.6270 15371 0.000105847
Initialization 10.4280 5.0218 1 10.427993733
DeterminantRef::inverse 2.3609 2.3609 2 1.180471832
DeterminantRef::spovgl 2.5561 0.0388 2 1.278038240
Single-Particle Orbitals 2.5172 2.5172 6144 0.000409708
OneBodyJastrowRef 0.0148 0.0148 1 0.014765047
ParticleSet:::update 0.3310 0.2471 2 0.165491994
DTAAOMPTarget::evaluate_e_e 0.0609 0.0609 1 0.060890287
DTABOMPTarget::evaluate_ion_e 0.0230 0.0005 1 0.023038726
DTABOMPTarget::offload_ion_e 0.0225 0.0225 1 0.022542954
TwoBodyJastrowRef 0.1434 0.1434 1 0.143374750
Pseudopotential 45.4946 0.2316 5 9.098927260
DeterminantRef::spoval 35.3540 0.8059 10215 0.003460985
Single-Particle Orbitals 34.5481 34.5481 122580 0.000281841
OneBodyJastrowRef 0.1128 0.1128 10215 0.000011043
ParticleSet:::update 7.6097 0.0390 10215 0.000744950
DTABOMPTarget::evaluate_e_virtual 6.8194 0.0135 10215 0.000667589
DTABOMPTarget::offload_e_virtual 6.8059 6.8059 10215 0.000666264
DTABOMPTarget::evaluate_ion_virtual 0.7513 0.0131 10215 0.000073545
DTABOMPTarget::offload_ion_virtual 0.7381 0.7381 10215 0.000072260
TwoBodyJastrowRef 2.1866 2.1866 10215 0.000214060
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 9.6386e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.5175e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 5.31034e+07
