* Info: Detected 2 Lprof instances in o404: 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 o404
* Info: Process launched (host o404, process 478875)
* Info: Process launched (host o404, process 478874)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 0.1387 0.1387 1 0.138706065
ParticleSet:::update 0.0000 0.0000 1 0.000003921
Total 95.4777 2.7940 1 95.477659643
Diffusion 49.2033 0.0465 5 9.840668444
Complete Updates 0.3320 0.0000 5 0.066400234
DeterminantRef::update 0.3320 0.3320 10 0.033197757
Current Gradient 2.1804 0.0306 30720 0.000070978
DeterminantRef::ratio 2.1299 2.1299 30720 0.000069334
OneBodyJastrowRef 0.0122 0.0122 30720 0.000000396
TwoBodyJastrowRef 0.0077 0.0077 30720 0.000000251
Kinetic Energy 0.5523 0.5517 5 0.110457249
OneBodyJastrowRef 0.0003 0.0003 5 0.000053268
TwoBodyJastrowRef 0.0003 0.0003 5 0.000054027
New Gradient 18.9547 0.0333 30720 0.000617016
DeterminantRef::ratio 0.1946 0.1946 30720 0.000006336
DeterminantRef::spovgl 17.4567 0.6081 30720 0.000568253
Single-Particle Orbitals 16.8487 16.8487 30720 0.000548460
OneBodyJastrowRef 0.1019 0.1019 30720 0.000003318
TwoBodyJastrowRef 1.1681 1.1681 30720 0.000038025
ParticleSet:::acceptMove 4.3270 0.0211 15371 0.000281503
DTAAOMPTarget::update_e_e 4.2616 4.2616 15371 0.000277247
DTABOMPTarget::update_ion_e 0.0443 0.0443 15371 0.000002884
ParticleSet:::computeNewPosDT 1.7854 0.0187 30720 0.000058120
DTAAOMPTarget::move_e_e 1.6075 1.6075 30720 0.000052328
DTABOMPTarget::move_ion_e 0.1593 0.1593 30720 0.000005184
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000002008
Update 21.0249 0.0163 15371 0.001367832
DeterminantRef::update 19.7121 19.7121 15371 0.001282421
OneBodyJastrowRef 0.0039 0.0039 15371 0.000000257
TwoBodyJastrowRef 1.2926 1.2926 15371 0.000084096
Initialization 9.1608 4.6771 1 9.160832864
DeterminantRef::inverse 1.2135 1.2135 2 0.606766582
DeterminantRef::spovgl 2.8297 0.1188 2 1.414864145
Single-Particle Orbitals 2.7109 2.7109 6144 0.000441234
OneBodyJastrowRef 0.0176 0.0176 1 0.017636294
ParticleSet:::update 0.2782 0.0753 2 0.139118351
DTAAOMPTarget::evaluate_e_e 0.1689 0.1689 1 0.168862433
DTABOMPTarget::evaluate_ion_e 0.0341 0.0001 1 0.034087869
DTABOMPTarget::offload_ion_e 0.0340 0.0340 1 0.033971395
TwoBodyJastrowRef 0.1446 0.1446 1 0.144640974
Pseudopotential 34.3195 0.1122 5 6.863896004
DeterminantRef::spoval 22.1033 0.5998 10215 0.002163804
Single-Particle Orbitals 21.5034 21.5034 122580 0.000175424
OneBodyJastrowRef 0.0654 0.0654 10215 0.000006407
ParticleSet:::update 10.3456 0.0254 10215 0.001012782
DTABOMPTarget::evaluate_e_virtual 9.4864 0.0090 10215 0.000928674
DTABOMPTarget::offload_e_virtual 9.4774 9.4774 10215 0.000927789
DTABOMPTarget::evaluate_ion_virtual 0.8338 0.0078 10215 0.000081623
DTABOMPTarget::offload_ion_virtual 0.8260 0.8260 10215 0.000080859
TwoBodyJastrowRef 1.6930 1.6930 10215 0.000165737
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.72063e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 5.27931e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.23191e+08
* Info: Process finished (host o404, process 478875)
* Info: Process finished (host o404, process 478874)
Your experiment path is /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/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/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0 #
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