* 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 478294)
* Info: Process launched (host o404, process 478295)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 0.1460 0.1460 1 0.145984154
ParticleSet:::update 0.0000 0.0000 1 0.000003571
Total 86.8373 0.1229 1 86.837337729
Diffusion 44.3529 0.0416 5 8.870573900
Complete Updates 0.3175 0.0000 5 0.063501518
DeterminantRef::update 0.3175 0.3175 10 0.031748507
Current Gradient 2.1719 0.0336 30720 0.000070699
DeterminantRef::ratio 2.1170 2.1170 30720 0.000068914
OneBodyJastrowRef 0.0126 0.0126 30720 0.000000410
TwoBodyJastrowRef 0.0086 0.0086 30720 0.000000280
Kinetic Energy 0.5856 0.5852 5 0.117115931
OneBodyJastrowRef 0.0003 0.0003 5 0.000053260
TwoBodyJastrowRef 0.0002 0.0002 5 0.000031693
New Gradient 14.7142 0.0385 30720 0.000478977
DeterminantRef::ratio 0.3014 0.3014 30720 0.000009812
DeterminantRef::spovgl 13.1842 0.5312 30720 0.000429173
Single-Particle Orbitals 12.6530 12.6530 30720 0.000411880
OneBodyJastrowRef 0.1206 0.1206 30720 0.000003925
TwoBodyJastrowRef 1.0695 1.0695 30720 0.000034816
ParticleSet:::acceptMove 4.4456 0.0238 15371 0.000289223
DTAAOMPTarget::update_e_e 4.3734 4.3734 15371 0.000284520
DTABOMPTarget::update_ion_e 0.0485 0.0485 15371 0.000003158
ParticleSet:::computeNewPosDT 1.3519 0.0237 30720 0.000044007
DTAAOMPTarget::move_e_e 1.1901 1.1901 30720 0.000038740
DTABOMPTarget::move_ion_e 0.1381 0.1381 30720 0.000004495
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001456
Update 20.7246 0.0186 15371 0.001348294
DeterminantRef::update 19.5612 19.5612 15371 0.001272606
OneBodyJastrowRef 0.0043 0.0043 15371 0.000000283
TwoBodyJastrowRef 1.1404 1.1404 15371 0.000074194
Initialization 8.7378 4.9458 1 8.737754276
DeterminantRef::inverse 1.0890 1.0890 2 0.544479797
DeterminantRef::spovgl 2.2628 0.1131 2 1.131390555
Single-Particle Orbitals 2.1496 2.1496 6144 0.000349877
OneBodyJastrowRef 0.0177 0.0177 1 0.017671360
ParticleSet:::update 0.2828 0.0937 2 0.141392900
DTAAOMPTarget::evaluate_e_e 0.1575 0.1575 1 0.157459751
DTABOMPTarget::evaluate_ion_e 0.0316 0.0001 1 0.031634996
DTABOMPTarget::offload_ion_e 0.0315 0.0315 1 0.031504483
TwoBodyJastrowRef 0.1398 0.1398 1 0.139750432
Pseudopotential 33.6238 0.1055 5 6.724758276
DeterminantRef::spoval 24.4111 0.5434 10215 0.002389728
Single-Particle Orbitals 23.8677 23.8677 122580 0.000194711
OneBodyJastrowRef 0.0557 0.0557 10215 0.000005457
ParticleSet:::update 7.7357 0.0216 10215 0.000757288
DTABOMPTarget::evaluate_e_virtual 7.0980 0.0099 10215 0.000694863
DTABOMPTarget::offload_e_virtual 7.0882 7.0882 10215 0.000693897
DTABOMPTarget::evaluate_ion_virtual 0.6161 0.0088 10215 0.000060316
DTABOMPTarget::offload_ion_virtual 0.6073 0.6073 10215 0.000059454
TwoBodyJastrowRef 1.3158 1.3158 10215 0.000128812
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.99134e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 5.85666e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.2574e+08
* Info: Process finished (host o404, process 478295)
* Info: Process finished (host o404, process 478294)
Your experiment path is /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/icx_1/oneview_results_1714185014/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/compilers/icx_1/oneview_results_1714185014/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/compilers/icx_1/oneview_results_1714185014/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/compilers/icx_1/oneview_results_1714185014/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/compilers/icx_1/oneview_results_1714185014/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/compilers/icx_1/oneview_results_1714185014/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/compilers/icx_1/oneview_results_1714185014/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/compilers/icx_1/oneview_results_1714185014/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/compilers/icx_1/oneview_results_1714185014/tools/lprof_npsu_run_0 #
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