* Info: Selecting the 'perf-low-ppn' engine for node turpancomp1
[0m
* Info: "ref-cycles" not supported on turpancomp1: fallback to "cpu-clock"[0m
* Info: Process launched (host turpancomp1, process 1089353)[0mminiqmc 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 = 80
Number of walkers per rank = 80
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 0.0641 0.0641 1 0.064128047
ParticleSet:::update 0.0000 0.0000 1 0.000001000
Total 319.9967 1.6191 1 319.996654703
Diffusion 215.6276 0.2081 5 43.125524501
Complete Updates 2.1416 0.0001 5 0.428310773
DeterminantRef::update 2.1415 2.1415 10 0.214148886
Current Gradient 15.4491 0.1718 30720 0.000502902
DeterminantRef::ratio 15.1786 15.1786 30720 0.000494095
OneBodyJastrowRef 0.0535 0.0535 30720 0.000001740
TwoBodyJastrowRef 0.0453 0.0453 30720 0.000001474
Kinetic Energy 1.9399 1.9384 5 0.387984806
OneBodyJastrowRef 0.0009 0.0009 5 0.000171458
TwoBodyJastrowRef 0.0007 0.0007 5 0.000138346
New Gradient 41.5392 0.2272 30720 0.001352187
DeterminantRef::ratio 0.4462 0.4462 30720 0.000014525
DeterminantRef::spovgl 34.2243 2.4133 30720 0.001114072
Single-Particle Orbitals 31.8109 31.8109 30720 0.001035512
OneBodyJastrowRef 0.7037 0.7037 30720 0.000022906
TwoBodyJastrowRef 5.9378 5.9378 30720 0.000193288
ParticleSet:::acceptMove 20.0938 0.1128 15371 0.001307252
DTAAOMPTarget::update_e_e 19.7216 19.7216 15371 0.001283040
DTABOMPTarget::update_ion_e 0.2594 0.2594 15371 0.000016873
ParticleSet:::computeNewPosDT 7.4874 0.1050 30720 0.000243730
DTAAOMPTarget::move_e_e 6.6904 6.6904 30720 0.000217786
DTABOMPTarget::move_ion_e 0.6920 0.6920 30720 0.000022527
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000002704
Update 126.7686 0.0861 15371 0.008247255
DeterminantRef::update 118.6444 118.6444 15371 0.007718720
OneBodyJastrowRef 0.0233 0.0233 15371 0.000001515
TwoBodyJastrowRef 8.0147 8.0147 15371 0.000521419
Initialization 11.7660 2.1739 1 11.765987984
DeterminantRef::inverse 4.1344 4.1344 2 2.067176121
DeterminantRef::spovgl 4.4575 0.3734 2 2.228742331
Single-Particle Orbitals 4.0841 4.0841 6144 0.000664735
OneBodyJastrowRef 0.0318 0.0318 1 0.031847841
ParticleSet:::update 0.7542 0.3740 2 0.377113302
DTAAOMPTarget::evaluate_e_e 0.3229 0.3229 1 0.322909175
DTABOMPTarget::evaluate_ion_e 0.0573 0.0378 1 0.057340578
DTABOMPTarget::offload_ion_e 0.0195 0.0195 1 0.019517836
TwoBodyJastrowRef 0.2142 0.2142 1 0.214159359
Pseudopotential 90.9840 0.3319 5 18.196793011
DeterminantRef::spoval 76.6412 2.3486 10215 0.007502813
Single-Particle Orbitals 74.2927 74.2927 122580 0.000606075
OneBodyJastrowRef 0.1956 0.1956 10215 0.000019146
ParticleSet:::update 10.0660 0.0488 10215 0.000985410
DTABOMPTarget::evaluate_e_virtual 9.2117 0.0329 10215 0.000901781
DTABOMPTarget::offload_e_virtual 9.1788 9.1788 10215 0.000898556
DTABOMPTarget::evaluate_ion_virtual 0.8055 0.0208 10215 0.000078853
DTABOMPTarget::offload_ion_virtual 0.7847 0.7847 10215 0.000076815
TwoBodyJastrowRef 3.7493 3.7493 10215 0.000367035
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 5.79827e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 8.60477e+10
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 3.31916e+07
* Info: Process finished (host turpancomp1, process 1089353)[0m
* Info: Dumping samples (host turpancomp1, process 1089353)[0m
* Info: Dumping source info for callchain nodes (host turpancomp1, process 1089353)[0m
* Info: Building/writing metadata (host turpancomp1)[0m
* Info: Finished collect step (host turpancomp1, process 1089353)[0m
Your experiment path is /work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/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=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711476975/tools/lprof_npsu_run_0 #
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