* 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 1094730)[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 0.0249 0.0249 1 0.024928576
ParticleSet:::update 0.0000 0.0000 1 0.000000960
Total 320.9770 1.8545 1 320.976981734
Diffusion 215.8202 0.2207 5 43.164039033
Complete Updates 2.1351 0.0001 5 0.427021870
DeterminantRef::update 2.1350 2.1350 10 0.213502635
Current Gradient 15.4332 0.1728 30720 0.000502382
DeterminantRef::ratio 15.1606 15.1606 30720 0.000493508
OneBodyJastrowRef 0.0517 0.0517 30720 0.000001684
TwoBodyJastrowRef 0.0480 0.0480 30720 0.000001563
Kinetic Energy 2.0107 2.0090 5 0.402135335
OneBodyJastrowRef 0.0009 0.0009 5 0.000184018
TwoBodyJastrowRef 0.0007 0.0007 5 0.000143242
New Gradient 41.0788 0.2339 30720 0.001337202
DeterminantRef::ratio 0.7279 0.7279 30720 0.000023694
DeterminantRef::spovgl 33.8077 2.5461 30720 0.001100511
Single-Particle Orbitals 31.2616 31.2616 30720 0.001017631
OneBodyJastrowRef 0.7187 0.7187 30720 0.000023394
TwoBodyJastrowRef 5.5907 5.5907 30720 0.000181990
ParticleSet:::acceptMove 20.0871 0.1156 15371 0.001306820
DTAAOMPTarget::update_e_e 19.7106 19.7106 15371 0.001282321
DTABOMPTarget::update_ion_e 0.2610 0.2610 15371 0.000016978
ParticleSet:::computeNewPosDT 7.6629 0.1235 30720 0.000249442
DTAAOMPTarget::move_e_e 6.8241 6.8241 30720 0.000222138
DTABOMPTarget::move_ion_e 0.7153 0.7153 30720 0.000023283
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000003320
Update 127.1917 0.1008 15371 0.008274785
DeterminantRef::update 119.3613 119.3613 15371 0.007765355
OneBodyJastrowRef 0.0196 0.0196 15371 0.000001277
TwoBodyJastrowRef 7.7100 7.7100 15371 0.000501596
Initialization 11.7977 1.8155 1 11.797661715
DeterminantRef::inverse 4.2308 4.2308 2 2.115379329
DeterminantRef::spovgl 4.6553 0.3938 2 2.327665728
Single-Particle Orbitals 4.2615 4.2615 6144 0.000693610
OneBodyJastrowRef 0.0332 0.0332 1 0.033228324
ParticleSet:::update 0.7236 0.2390 2 0.361778254
DTAAOMPTarget::evaluate_e_e 0.3971 0.3971 1 0.397114477
DTABOMPTarget::evaluate_ion_e 0.0874 0.0003 1 0.087416617
DTABOMPTarget::offload_ion_e 0.0871 0.0871 1 0.087148695
TwoBodyJastrowRef 0.3393 0.3393 1 0.339314321
Pseudopotential 91.5046 0.3358 5 18.300922050
DeterminantRef::spoval 76.7998 2.3136 10215 0.007518339
Single-Particle Orbitals 74.4862 74.4862 122580 0.000607654
OneBodyJastrowRef 0.2073 0.2073 10215 0.000020290
ParticleSet:::update 10.3361 0.0569 10215 0.001011859
DTABOMPTarget::evaluate_e_virtual 9.4514 0.0355 10215 0.000925247
DTABOMPTarget::offload_e_virtual 9.4159 9.4159 10215 0.000921768
DTABOMPTarget::evaluate_ion_virtual 0.8279 0.0211 10215 0.000081045
DTABOMPTarget::offload_ion_virtual 0.8067 0.8067 10215 0.000078976
TwoBodyJastrowRef 3.8256 3.8256 10215 0.000374510
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 5.78056e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 8.59709e+10
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 3.30027e+07
* Info: Process finished (host turpancomp1, process 1094730)[0m
* Info: Dumping samples (host turpancomp1, process 1094730)[0m
* Info: Dumping source info for callchain nodes (host turpancomp1, process 1094730)[0m
* Info: Building/writing metadata (host turpancomp1)[0m
* Info: Finished collect step (host turpancomp1, process 1094730)[0m
Your experiment path is /work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1711483182/tools/lprof_npsu_run_0
To display your profiling results:
###########################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
###########################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/work/m23012/camus/qaas-runs/171-147-3099/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1711483182/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/compilers/armclang_3/oneview_results_1711483182/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/compilers/armclang_3/oneview_results_1711483182/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/compilers/armclang_3/oneview_results_1711483182/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/compilers/armclang_3/oneview_results_1711483182/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/compilers/armclang_3/oneview_results_1711483182/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/compilers/armclang_3/oneview_results_1711483182/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/compilers/armclang_3/oneview_results_1711483182/tools/lprof_npsu_run_0 #
###########################################################################################################################################################################################################
