* 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 152355)
* Info: Process launched (host o405, process 152356)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 0.1418 0.1418 1 0.141775197
ParticleSet:::update 0.0000 0.0000 1 0.000005836
Total 118.9431 0.0237 1 118.943057722
Diffusion 68.1321 0.0678 5 13.626428428
Complete Updates 0.3954 0.0000 5 0.079078291
DeterminantRef::update 0.3954 0.3954 10 0.039535657
Current Gradient 3.0235 0.0405 30720 0.000098420
DeterminantRef::ratio 2.9543 2.9543 30720 0.000096168
OneBodyJastrowRef 0.0176 0.0176 30720 0.000000573
TwoBodyJastrowRef 0.0111 0.0111 30720 0.000000361
Kinetic Energy 0.6076 0.6071 5 0.121514398
OneBodyJastrowRef 0.0003 0.0003 5 0.000053650
TwoBodyJastrowRef 0.0002 0.0002 5 0.000033864
New Gradient 20.4691 0.0476 30720 0.000666311
DeterminantRef::ratio 0.3774 0.3774 30720 0.000012285
DeterminantRef::spovgl 18.3546 0.8060 30720 0.000597480
Single-Particle Orbitals 17.5485 17.5485 30720 0.000571241
OneBodyJastrowRef 0.1789 0.1789 30720 0.000005822
TwoBodyJastrowRef 1.5107 1.5107 30720 0.000049175
ParticleSet:::acceptMove 7.6591 0.0372 15371 0.000498282
DTAAOMPTarget::update_e_e 7.5338 7.5338 15371 0.000490133
DTABOMPTarget::update_ion_e 0.0881 0.0881 15371 0.000005729
ParticleSet:::computeNewPosDT 1.9571 0.0364 30720 0.000063708
DTAAOMPTarget::move_e_e 1.7202 1.7202 30720 0.000055995
DTABOMPTarget::move_ion_e 0.2005 0.2005 30720 0.000006527
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000002985
Update 33.9526 0.0307 15371 0.002208874
DeterminantRef::update 31.8950 31.8950 15371 0.002075009
OneBodyJastrowRef 0.0051 0.0051 15371 0.000000334
TwoBodyJastrowRef 2.0219 2.0219 15371 0.000131537
Initialization 10.3918 4.9064 1 10.391806799
DeterminantRef::inverse 2.0350 2.0350 2 1.017503817
DeterminantRef::spovgl 2.7622 0.1382 2 1.381079981
Single-Particle Orbitals 2.6239 2.6239 6144 0.000427075
OneBodyJastrowRef 0.0159 0.0159 1 0.015932371
ParticleSet:::update 0.5442 0.0886 2 0.272102536
DTAAOMPTarget::evaluate_e_e 0.4201 0.4201 1 0.420077375
DTABOMPTarget::evaluate_ion_e 0.0356 0.0001 1 0.035564214
DTABOMPTarget::offload_ion_e 0.0354 0.0354 1 0.035443174
TwoBodyJastrowRef 0.1281 0.1281 1 0.128098072
Pseudopotential 40.3954 0.1454 5 8.079084304
DeterminantRef::spoval 28.9537 0.7285 10215 0.002834434
Single-Particle Orbitals 28.2252 28.2252 122580 0.000230259
OneBodyJastrowRef 0.0919 0.0919 10215 0.000008993
ParticleSet:::update 9.0609 0.0309 10215 0.000887014
DTABOMPTarget::evaluate_e_virtual 8.2632 0.0131 10215 0.000808931
DTABOMPTarget::offload_e_virtual 8.2501 8.2501 10215 0.000807645
DTABOMPTarget::evaluate_ion_virtual 0.7667 0.0103 10215 0.000075058
DTABOMPTarget::offload_ion_virtual 0.7564 0.7564 10215 0.000074053
TwoBodyJastrowRef 2.1436 2.1436 10215 0.000209845
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.1839e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.81259e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.04662e+08
* Info: Process finished (host o405, process 152355)
* Info: Process finished (host o405, process 152356)
Info: 1/2 lprof instances finished
Your experiment path is /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/compilers/icx_3/oneview_results_1714192808/tools/lprof_npsu_run_0
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
##############################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/compilers/icx_3/oneview_results_1714192808/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/compilers/icx_3/oneview_results_1714192808/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/compilers/icx_3/oneview_results_1714192808/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/compilers/icx_3/oneview_results_1714192808/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/compilers/icx_3/oneview_results_1714192808/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/compilers/icx_3/oneview_results_1714192808/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/compilers/icx_3/oneview_results_1714192808/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/compilers/icx_3/oneview_results_1714192808/tools/lprof_npsu_run_0 #
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