* Info: Detected 2 Lprof instances in o405: processes-per-node/ppn set accordingly.
If this is incorrect, rerun with an explicit value for this setting
* Info: Selecting the 'perf-high-ppn' engine for node o405
* Info: Process launched (host o405, process 100575)
* Info: Process launched (host o405, process 100576)miniqmc not built from git repository
number of ranks : 2, 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 = 2
OpenMP threads = 56
Number of walkers per rank = 56
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 0.1451 0.1451 1 0.145095746
ParticleSet:::update 0.0000 0.0000 1 0.000004257
Total 118.9629 0.0089 1 118.962881496
Diffusion 68.9408 0.0630 5 13.788153347
Complete Updates 0.3739 0.0000 5 0.074785027
DeterminantRef::update 0.3739 0.3739 10 0.037388140
Current Gradient 3.4232 0.0463 30720 0.000111434
DeterminantRef::ratio 3.3488 3.3488 30720 0.000109011
OneBodyJastrowRef 0.0189 0.0189 30720 0.000000615
TwoBodyJastrowRef 0.0092 0.0092 30720 0.000000299
Kinetic Energy 0.6126 0.6121 5 0.122529142
OneBodyJastrowRef 0.0004 0.0004 5 0.000073523
TwoBodyJastrowRef 0.0002 0.0002 5 0.000041603
New Gradient 17.5183 0.0491 30720 0.000570257
DeterminantRef::ratio 0.4653 0.4653 30720 0.000015148
DeterminantRef::spovgl 15.1814 0.9274 30720 0.000494187
Single-Particle Orbitals 14.2540 14.2540 30720 0.000463997
OneBodyJastrowRef 0.1866 0.1866 30720 0.000006073
TwoBodyJastrowRef 1.6359 1.6359 30720 0.000053251
ParticleSet:::acceptMove 8.0639 0.0356 15371 0.000524617
DTAAOMPTarget::update_e_e 7.9354 7.9354 15371 0.000516257
DTABOMPTarget::update_ion_e 0.0929 0.0929 15371 0.000006046
ParticleSet:::computeNewPosDT 2.1388 0.0374 30720 0.000069622
DTAAOMPTarget::move_e_e 1.8787 1.8787 30720 0.000061157
DTABOMPTarget::move_ion_e 0.2226 0.2226 30720 0.000007247
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000003179
Update 36.7469 0.0320 15371 0.002390667
DeterminantRef::update 34.6237 34.6237 15371 0.002252532
OneBodyJastrowRef 0.0065 0.0065 15371 0.000000420
TwoBodyJastrowRef 2.0849 2.0849 15371 0.000135636
Initialization 10.0285 4.8652 1 10.028500393
DeterminantRef::inverse 2.2488 2.2488 2 1.124378282
DeterminantRef::spovgl 2.3458 0.1314 2 1.172918049
Single-Particle Orbitals 2.2144 2.2144 6144 0.000360424
OneBodyJastrowRef 0.0138 0.0138 1 0.013846177
ParticleSet:::update 0.4546 0.0822 2 0.227315513
DTAAOMPTarget::evaluate_e_e 0.3461 0.3461 1 0.346074944
DTABOMPTarget::evaluate_ion_e 0.0264 0.0001 1 0.026405376
DTABOMPTarget::offload_ion_e 0.0263 0.0263 1 0.026270273
TwoBodyJastrowRef 0.1003 0.1003 1 0.100256475
Pseudopotential 39.9847 0.1485 5 7.996933150
DeterminantRef::spoval 29.1576 0.7165 10215 0.002854386
Single-Particle Orbitals 28.4411 28.4411 122580 0.000232021
OneBodyJastrowRef 0.0878 0.0878 10215 0.000008593
ParticleSet:::update 8.5861 0.0316 10215 0.000840543
DTABOMPTarget::evaluate_e_virtual 7.8120 0.0141 10215 0.000764758
DTABOMPTarget::offload_e_virtual 7.7979 7.7979 10215 0.000763375
DTABOMPTarget::evaluate_ion_virtual 0.7425 0.0103 10215 0.000072692
DTABOMPTarget::offload_ion_virtual 0.7322 0.7322 10215 0.000071681
TwoBodyJastrowRef 2.0047 2.0047 10215 0.000196249
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.18354e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.76787e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.05737e+08
* Info: Process finished (host o405, process 100575)
* Info: Process finished (host o405, process 100576)
Your experiment path is /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
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# Functions | Cluster-wide | maqao lprof -df xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714178845/tools/lprof_npsu_run_0 #
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