* 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 456937 gmz10.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 456948 gmz10.benchmarkcenter.megware.com {32}
[0] MPI startup(): 2 456946 gmz10.benchmarkcenter.megware.com {64}
[0] MPI startup(): 3 456945 gmz10.benchmarkcenter.megware.com {96}
[0] MPI startup(): 4 456943 gmz10.benchmarkcenter.megware.com {128}
[0] MPI startup(): 5 456941 gmz10.benchmarkcenter.megware.com {160}
[0] MPI startup(): 6 456964 gmz10.benchmarkcenter.megware.com {192}
[0] MPI startup(): 7 456942 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 0.0600 0.0600 1 0.060007061
ParticleSet:::update 0.0000 0.0000 1 0.000000550
Total 167.0595 0.0021 1 167.059526840
Diffusion 107.4603 0.0349 5 21.492058748
Complete Updates 1.1361 0.0000 5 0.227220949
DeterminantRef::update 1.1361 1.1361 10 0.113607001
Current Gradient 2.5839 0.0202 30720 0.000084112
DeterminantRef::ratio 2.5550 2.5550 30720 0.000083169
OneBodyJastrowRef 0.0053 0.0053 30720 0.000000172
TwoBodyJastrowRef 0.0035 0.0035 30720 0.000000114
Kinetic Energy 1.0781 1.0771 5 0.215621380
OneBodyJastrowRef 0.0006 0.0006 5 0.000123034
TwoBodyJastrowRef 0.0004 0.0004 5 0.000083440
New Gradient 15.7443 0.0232 30720 0.000512509
DeterminantRef::ratio 0.0801 0.0801 30720 0.000002609
DeterminantRef::spovgl 14.8456 0.3445 30720 0.000483257
Single-Particle Orbitals 14.5012 14.5012 30720 0.000472043
OneBodyJastrowRef 0.0882 0.0882 30720 0.000002873
TwoBodyJastrowRef 0.7071 0.7071 30720 0.000023016
ParticleSet:::acceptMove 3.8409 0.0215 15371 0.000249882
DTAAOMPTarget::update_e_e 3.7503 3.7503 15371 0.000243986
DTABOMPTarget::update_ion_e 0.0691 0.0691 15371 0.000004496
ParticleSet:::computeNewPosDT 1.4582 0.0116 30720 0.000047467
DTAAOMPTarget::move_e_e 1.2792 1.2792 30720 0.000041641
DTABOMPTarget::move_ion_e 0.1674 0.1674 30720 0.000005449
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001626
Update 81.5838 0.0173 15371 0.005307646
DeterminantRef::update 79.3881 79.3881 15371 0.005164795
OneBodyJastrowRef 0.0020 0.0020 15371 0.000000129
TwoBodyJastrowRef 2.1765 2.1765 15371 0.000141598
Initialization 9.2813 1.3024 1 9.281330344
DeterminantRef::inverse 4.9411 4.9411 2 2.470526148
DeterminantRef::spovgl 2.5268 0.1729 2 1.263420511
Single-Particle Orbitals 2.3540 2.3540 6144 0.000383132
OneBodyJastrowRef 0.0096 0.0096 1 0.009572802
ParticleSet:::update 0.3995 0.0487 2 0.199735158
DTAAOMPTarget::evaluate_e_e 0.3115 0.3115 1 0.311499634
DTABOMPTarget::evaluate_ion_e 0.0392 0.0001 1 0.039231449
DTABOMPTarget::offload_ion_e 0.0391 0.0391 1 0.039095539
TwoBodyJastrowRef 0.1020 0.1020 1 0.101981815
Pseudopotential 50.3158 0.1332 5 10.063166156
DeterminantRef::spoval 40.5077 0.4034 10215 0.003965511
Single-Particle Orbitals 40.1043 40.1043 122580 0.000327169
OneBodyJastrowRef 0.0637 0.0637 10215 0.000006236
ParticleSet:::update 7.7377 0.0216 10215 0.000757489
DTABOMPTarget::evaluate_e_virtual 7.0688 0.0091 10215 0.000692005
DTABOMPTarget::offload_e_virtual 7.0598 7.0598 10215 0.000691119
DTABOMPTarget::evaluate_ion_virtual 0.6473 0.0083 10215 0.000063368
DTABOMPTarget::offload_ion_virtual 0.6390 0.6390 10215 0.000062559
TwoBodyJastrowRef 1.8735 1.8735 10215 0.000183406
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 3.55404e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 5.52517e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.9206e+08
Info: 7/8 lprof instances finished
Your experiment path is /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/compilers/gcc_3/oneview_results_1739399676/tools/lprof_npsu_run_0
To display your profiling results:
######################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
######################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/run/oneview_runs/compilers/gcc_3/oneview_results_1739399676/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/compilers/gcc_3/oneview_results_1739399676/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/compilers/gcc_3/oneview_results_1739399676/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/compilers/gcc_3/oneview_results_1739399676/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/compilers/gcc_3/oneview_results_1739399676/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/compilers/gcc_3/oneview_results_1739399676/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/compilers/gcc_3/oneview_results_1739399676/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/compilers/gcc_3/oneview_results_1739399676/tools/lprof_npsu_run_0 #
######################################################################################################################################################################################################
