* Info: Selecting the 'perf-low-ppn' engine for node turpancomp0
[0m
* Info: "ref-cycles" not supported on turpancomp0: fallback to "cpu-clock"[0m
* Info: Process launched (host turpancomp0, process 673783)[0mminiqmc not built from git repository
number of ranks : 1, number of accelerators : 0
Number of orbitals/splines = 1536
Tile size = 1536
Number of tiles = 1
Number of electrons = 3072
Rmax = 1.7
AcceptanceRatio = 0.5
Iterations = 5
MPI processes = 1
OpenMP threads = 80
Number of walkers per rank = 80
SPO coefficients size = 786432000 bytes (750 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 0.0184 0.0184 1 0.018449605
ParticleSet:::update 0.0000 0.0000 1 0.000001200
Total 56.3573 0.4237 1 56.357334906
Diffusion 33.5689 0.0711 5 6.713789141
Complete Updates 0.4785 0.0001 5 0.095701593
DeterminantRef::update 0.4784 0.4784 10 0.047842597
Current Gradient 3.0184 0.0460 15360 0.000196513
DeterminantRef::ratio 2.9456 2.9456 15360 0.000191769
OneBodyJastrowRef 0.0130 0.0130 15360 0.000000844
TwoBodyJastrowRef 0.0139 0.0139 15360 0.000000904
Kinetic Energy 0.4449 0.4441 5 0.088977676
OneBodyJastrowRef 0.0005 0.0005 5 0.000090761
TwoBodyJastrowRef 0.0003 0.0003 5 0.000061681
New Gradient 8.9137 0.0629 15360 0.000580318
DeterminantRef::ratio 0.0835 0.0835 15360 0.000005437
DeterminantRef::spovgl 7.7016 0.5069 15360 0.000501404
Single-Particle Orbitals 7.1946 7.1946 15360 0.000468400
OneBodyJastrowRef 0.1744 0.1744 15360 0.000011353
TwoBodyJastrowRef 0.8913 0.8913 15360 0.000058027
ParticleSet:::acceptMove 4.1287 0.0339 7611 0.000542469
DTAAOMPTarget::update_e_e 4.0363 4.0363 7611 0.000530326
DTABOMPTarget::update_ion_e 0.0585 0.0585 7611 0.000007691
ParticleSet:::computeNewPosDT 1.3728 0.0333 15360 0.000089375
DTAAOMPTarget::move_e_e 1.1733 1.1733 15360 0.000076389
DTABOMPTarget::move_ion_e 0.1662 0.1662 15360 0.000010819
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000003216
Update 15.1407 0.0289 7611 0.001989322
DeterminantRef::update 13.7954 13.7954 7611 0.001812567
OneBodyJastrowRef 0.0049 0.0049 7611 0.000000643
TwoBodyJastrowRef 1.3115 1.3115 7611 0.000172317
Initialization 2.5915 0.7048 1 2.591505074
DeterminantRef::inverse 0.5657 0.5657 2 0.282871163
DeterminantRef::spovgl 1.0872 0.0849 2 0.543587608
Single-Particle Orbitals 1.0023 1.0023 3072 0.000326253
OneBodyJastrowRef 0.0065 0.0065 1 0.006531458
ParticleSet:::update 0.1861 0.1291 2 0.093030090
DTAAOMPTarget::evaluate_e_e 0.0287 0.0287 1 0.028689376
DTABOMPTarget::evaluate_ion_e 0.0283 0.0001 1 0.028297212
DTABOMPTarget::offload_ion_e 0.0282 0.0282 1 0.028219812
TwoBodyJastrowRef 0.0412 0.0412 1 0.041240888
Pseudopotential 19.7732 0.1101 5 3.954632642
DeterminantRef::spoval 16.1216 0.2795 5359 0.003008315
Single-Particle Orbitals 15.8421 15.8421 64308 0.000246347
OneBodyJastrowRef 0.0833 0.0833 5359 0.000015538
ParticleSet:::update 2.4871 0.0201 5359 0.000464094
DTABOMPTarget::evaluate_e_virtual 2.0799 0.0107 5359 0.000388113
DTABOMPTarget::offload_e_virtual 2.0692 2.0692 5359 0.000386121
DTABOMPTarget::evaluate_ion_virtual 0.3871 0.0078 5359 0.000072225
DTABOMPTarget::offload_ion_virtual 0.3793 0.3793 5359 0.000070779
TwoBodyJastrowRef 0.9711 0.9711 5359 0.000181211
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 4.11532e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 6.90901e+10
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 3.81818e+07
* Info: Process finished (host turpancomp0, process 673783)[0m
* Info: Dumping samples (host turpancomp0, process 673783)[0m
* Info: Dumping source info for callchain nodes (host turpancomp0, process 673783)[0m
* Info: Building/writing metadata (host turpancomp0)[0m
* Info: Finished collect step (host turpancomp0, process 673783)[0m
Your experiment path is /work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/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/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/compilers/armclang_5/oneview_results_1711027961/tools/lprof_npsu_run_0 #
###########################################################################################################################################################################################################
