* 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 426573)
* Info: Process launched (host o404, process 426574)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 0.1363 0.1362 1 0.136251656
ParticleSet:::update 0.0000 0.0000 1 0.000003503
Total 86.4514 0.0094 1 86.451412598
Diffusion 44.6336 0.0446 5 8.926711205
Complete Updates 0.3400 0.0000 5 0.067996866
DeterminantRef::update 0.3400 0.3400 10 0.033996194
Current Gradient 2.4576 0.0367 30720 0.000079999
DeterminantRef::ratio 2.3994 2.3994 30720 0.000078105
OneBodyJastrowRef 0.0135 0.0135 30720 0.000000440
TwoBodyJastrowRef 0.0080 0.0080 30720 0.000000260
Kinetic Energy 0.6213 0.6209 5 0.124254079
OneBodyJastrowRef 0.0003 0.0003 5 0.000054577
TwoBodyJastrowRef 0.0001 0.0001 5 0.000029251
New Gradient 11.5775 0.0396 30720 0.000376871
DeterminantRef::ratio 0.3635 0.3635 30720 0.000011834
DeterminantRef::spovgl 9.8372 0.6692 30720 0.000320221
Single-Particle Orbitals 9.1680 9.1680 30720 0.000298439
OneBodyJastrowRef 0.1386 0.1386 30720 0.000004510
TwoBodyJastrowRef 1.1986 1.1986 30720 0.000039018
ParticleSet:::acceptMove 4.5240 0.0239 15371 0.000294322
DTAAOMPTarget::update_e_e 4.4496 4.4496 15371 0.000289480
DTABOMPTarget::update_ion_e 0.0505 0.0505 15371 0.000003284
ParticleSet:::computeNewPosDT 1.6108 0.0282 30720 0.000052436
DTAAOMPTarget::move_e_e 1.4279 1.4279 30720 0.000046482
DTABOMPTarget::move_ion_e 0.1547 0.1547 30720 0.000005036
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000002298
Update 23.4578 0.0200 15371 0.001526105
DeterminantRef::update 22.2183 22.2183 15371 0.001445468
OneBodyJastrowRef 0.0044 0.0044 15371 0.000000288
TwoBodyJastrowRef 1.2151 1.2151 15371 0.000079050
Initialization 8.2188 4.9207 1 8.218784539
DeterminantRef::inverse 1.2389 1.2389 2 0.619427970
DeterminantRef::spovgl 1.6582 0.1281 2 0.829105732
Single-Particle Orbitals 1.5301 1.5301 6144 0.000249034
OneBodyJastrowRef 0.0185 0.0185 1 0.018486082
ParticleSet:::update 0.2471 0.0732 2 0.123559225
DTAAOMPTarget::evaluate_e_e 0.1404 0.1404 1 0.140387519
DTABOMPTarget::evaluate_ion_e 0.0336 0.0001 1 0.033558400
DTABOMPTarget::offload_ion_e 0.0334 0.0334 1 0.033448171
TwoBodyJastrowRef 0.1355 0.1355 1 0.135456133
Pseudopotential 33.5897 0.1087 5 6.717938853
DeterminantRef::spoval 24.1937 0.5641 10215 0.002368444
Single-Particle Orbitals 23.6296 23.6296 122580 0.000192768
OneBodyJastrowRef 0.0626 0.0626 10215 0.000006127
ParticleSet:::update 7.9151 0.0246 10215 0.000774850
DTABOMPTarget::evaluate_e_virtual 7.2619 0.0114 10215 0.000710903
DTABOMPTarget::offload_e_virtual 7.2504 7.2504 10215 0.000709784
DTABOMPTarget::evaluate_ion_virtual 0.6286 0.0084 10215 0.000061536
DTABOMPTarget::offload_ion_virtual 0.6202 0.6202 10215 0.000060714
TwoBodyJastrowRef 1.3097 1.3097 10215 0.000128212
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 3.00469e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 5.81983e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.25868e+08
* Info: Process finished (host o404, process 426573)
* Info: Process finished (host o404, process 426574)
Info: 1/2 lprof instances finished
Your experiment path is /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1714173782/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/defaults/orig/oneview_results_1714173782/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/defaults/orig/oneview_results_1714173782/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/defaults/orig/oneview_results_1714173782/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/defaults/orig/oneview_results_1714173782/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/defaults/orig/oneview_results_1714173782/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/defaults/orig/oneview_results_1714173782/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/defaults/orig/oneview_results_1714173782/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/defaults/orig/oneview_results_1714173782/tools/lprof_npsu_run_0 #
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