* 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 152934)
* Info: Process launched (host o405, process 152933)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 0.1470 0.1470 1 0.146969505
ParticleSet:::update 0.0000 0.0000 1 0.000004446
Total 127.5210 2.0637 1 127.520979387
Diffusion 76.9948 0.0690 5 15.398965125
Complete Updates 0.6274 0.0000 5 0.125487412
DeterminantRef::update 0.6274 0.6274 10 0.062740054
Current Gradient 3.1581 0.0455 30720 0.000102803
DeterminantRef::ratio 3.0834 3.0834 30720 0.000100370
OneBodyJastrowRef 0.0177 0.0177 30720 0.000000575
TwoBodyJastrowRef 0.0116 0.0116 30720 0.000000376
Kinetic Energy 0.8637 0.8627 5 0.172730715
OneBodyJastrowRef 0.0005 0.0005 5 0.000092399
TwoBodyJastrowRef 0.0005 0.0005 5 0.000093677
New Gradient 28.1818 0.0464 30720 0.000917377
DeterminantRef::ratio 0.2435 0.2435 30720 0.000007925
DeterminantRef::spovgl 26.0036 0.9234 30720 0.000846473
Single-Particle Orbitals 25.0802 25.0802 30720 0.000816413
OneBodyJastrowRef 0.1593 0.1593 30720 0.000005186
TwoBodyJastrowRef 1.7290 1.7290 30720 0.000056283
ParticleSet:::acceptMove 7.3462 0.0311 15371 0.000477923
DTAAOMPTarget::update_e_e 7.2356 7.2356 15371 0.000470731
DTABOMPTarget::update_ion_e 0.0794 0.0794 15371 0.000005167
ParticleSet:::computeNewPosDT 2.2713 0.0265 30720 0.000073935
DTAAOMPTarget::move_e_e 2.0348 2.0348 30720 0.000066236
DTABOMPTarget::move_ion_e 0.2100 0.2100 30720 0.000006835
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000002824
Update 34.4773 0.0250 15371 0.002243011
DeterminantRef::update 32.2391 32.2391 15371 0.002097397
OneBodyJastrowRef 0.0065 0.0065 15371 0.000000425
TwoBodyJastrowRef 2.2067 2.2067 15371 0.000143565
Initialization 10.5122 4.6559 1 10.512151647
DeterminantRef::inverse 2.1501 2.1501 2 1.075045587
DeterminantRef::spovgl 3.0925 0.1454 2 1.546262893
Single-Particle Orbitals 2.9472 2.9472 6144 0.000479683
OneBodyJastrowRef 0.0105 0.0105 1 0.010548437
ParticleSet:::update 0.5174 0.1060 2 0.258677655
DTAAOMPTarget::evaluate_e_e 0.3747 0.3747 1 0.374658972
DTABOMPTarget::evaluate_ion_e 0.0366 0.0001 1 0.036648449
DTABOMPTarget::offload_ion_e 0.0365 0.0365 1 0.036527184
TwoBodyJastrowRef 0.0857 0.0857 1 0.085691575
Pseudopotential 37.9503 0.1413 5 7.590052004
DeterminantRef::spoval 26.0529 0.6520 10215 0.002550452
Single-Particle Orbitals 25.4009 25.4009 122580 0.000207219
OneBodyJastrowRef 0.0838 0.0838 10215 0.000008206
ParticleSet:::update 9.4486 0.0338 10215 0.000924970
DTABOMPTarget::evaluate_e_virtual 8.5652 0.0119 10215 0.000838493
DTABOMPTarget::offload_e_virtual 8.5533 8.5533 10215 0.000837329
DTABOMPTarget::evaluate_ion_virtual 0.8496 0.0112 10215 0.000083168
DTABOMPTarget::offload_ion_virtual 0.8384 0.8384 10215 0.000082073
TwoBodyJastrowRef 2.2237 2.2237 10215 0.000217692
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.037e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.37373e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.11405e+08
* Info: Process finished (host o405, process 152933)
* Info: Process finished (host o405, process 152934)
Your experiment path is /scratch_na/users/xoserete/qaas_runs/171-417-8059/intel/miniqmc/run/oneview_runs/compilers/gcc_9/oneview_results_1714192978/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/gcc_9/oneview_results_1714192978/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/gcc_9/oneview_results_1714192978/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/gcc_9/oneview_results_1714192978/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/gcc_9/oneview_results_1714192978/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/gcc_9/oneview_results_1714192978/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/gcc_9/oneview_results_1714192978/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/gcc_9/oneview_results_1714192978/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/gcc_9/oneview_results_1714192978/tools/lprof_npsu_run_0 #
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