* Info: Detected 8 Lprof instances in gmz10.benchmarkcenter.megware.com.
If this is incorrect, rerun with number-processes-per-node=X
[0] MPI startup(): Intel(R) MPI Library, Version 2021.14 Build 20240911 (id: b3fc682)
[0] MPI startup(): Copyright (C) 2003-2024 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2025.0.0/mpi/2021.14/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): ===== CPU pinning =====
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 397577 gmz10.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 397553 gmz10.benchmarkcenter.megware.com {32}
[0] MPI startup(): 2 397559 gmz10.benchmarkcenter.megware.com {64}
[0] MPI startup(): 3 397555 gmz10.benchmarkcenter.megware.com {96}
[0] MPI startup(): 4 397550 gmz10.benchmarkcenter.megware.com {128}
[0] MPI startup(): 5 397557 gmz10.benchmarkcenter.megware.com {160}
[0] MPI startup(): 6 397551 gmz10.benchmarkcenter.megware.com {192}
[0] MPI startup(): 7 397556 gmz10.benchmarkcenter.megware.com {224}
miniqmc not built from git repository
number of ranks : 8, 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 = 8
OpenMP threads = 32
Number of walkers per rank = 32
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 0.0577 0.0577 1 0.057685486
ParticleSet:::update 0.0000 0.0000 1 0.000000380
Total 167.5654 0.0791 1 167.565422126
Diffusion 107.4806 0.0351 5 21.496125225
Complete Updates 1.1446 0.0000 5 0.228928441
DeterminantRef::update 1.1446 1.1446 10 0.114460212
Current Gradient 2.5607 0.0204 30720 0.000083355
DeterminantRef::ratio 2.5315 2.5315 30720 0.000082405
OneBodyJastrowRef 0.0053 0.0053 30720 0.000000171
TwoBodyJastrowRef 0.0036 0.0036 30720 0.000000116
Kinetic Energy 1.0750 1.0740 5 0.215000606
OneBodyJastrowRef 0.0006 0.0006 5 0.000127964
TwoBodyJastrowRef 0.0004 0.0004 5 0.000081690
New Gradient 16.0963 0.0250 30720 0.000523968
DeterminantRef::ratio 0.0509 0.0509 30720 0.000001656
DeterminantRef::spovgl 15.3470 0.3830 30720 0.000499577
Single-Particle Orbitals 14.9640 14.9640 30720 0.000487110
OneBodyJastrowRef 0.0731 0.0731 30720 0.000002380
TwoBodyJastrowRef 0.6003 0.6003 30720 0.000019540
ParticleSet:::acceptMove 3.9211 0.0228 15371 0.000255096
DTAAOMPTarget::update_e_e 3.8280 3.8280 15371 0.000249039
DTABOMPTarget::update_ion_e 0.0702 0.0702 15371 0.000004570
ParticleSet:::computeNewPosDT 1.2237 0.0121 30720 0.000039835
DTAAOMPTarget::move_e_e 1.0491 1.0491 30720 0.000034151
DTABOMPTarget::move_ion_e 0.1625 0.1625 30720 0.000005289
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001470
Update 81.4241 0.0166 15371 0.005297256
DeterminantRef::update 79.2259 79.2259 15371 0.005154244
OneBodyJastrowRef 0.0018 0.0018 15371 0.000000116
TwoBodyJastrowRef 2.1798 2.1798 15371 0.000141813
Initialization 9.4968 1.1902 1 9.496829463
DeterminantRef::inverse 5.1958 5.1958 2 2.597875685
DeterminantRef::spovgl 2.6335 0.1782 2 1.316753817
Single-Particle Orbitals 2.4553 2.4553 6144 0.000399623
OneBodyJastrowRef 0.0139 0.0139 1 0.013921360
ParticleSet:::update 0.3873 0.0448 2 0.193645350
DTAAOMPTarget::evaluate_e_e 0.3017 0.3017 1 0.301669622
DTABOMPTarget::evaluate_ion_e 0.0408 0.0002 1 0.040785923
DTABOMPTarget::offload_ion_e 0.0406 0.0406 1 0.040628913
TwoBodyJastrowRef 0.0762 0.0762 1 0.076156546
Pseudopotential 50.5089 0.1305 5 10.101770031
DeterminantRef::spoval 40.6916 0.3797 10215 0.003983515
Single-Particle Orbitals 40.3119 40.3119 122580 0.000328862
OneBodyJastrowRef 0.0628 0.0628 10215 0.000006147
ParticleSet:::update 7.6997 0.0250 10215 0.000753768
DTABOMPTarget::evaluate_e_virtual 7.0186 0.0097 10215 0.000687088
DTABOMPTarget::offload_e_virtual 7.0089 7.0089 10215 0.000686141
DTABOMPTarget::evaluate_ion_virtual 0.6562 0.0086 10215 0.000064237
DTABOMPTarget::offload_ion_virtual 0.6476 0.6476 10215 0.000063396
TwoBodyJastrowRef 1.9243 1.9243 10215 0.000188375
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 3.54331e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 5.52412e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.91326e+08
Your experiment path is /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/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=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1739383532/tools/lprof_npsu_run_0 #
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