* Info: Detected 2 Lprof instances in itp09.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_icx_shm.dat"
[0] MPI startup(): ===== CPU pinning =====
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 2323329 itp09.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 2323415 itp09.benchmarkcenter.megware.com {36}
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 = 36
Number of walkers per rank = 36
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 0.0574 0.0574 1 0.057408256
ParticleSet:::update 0.0000 0.0000 1 0.000003348
Total 133.8591 0.0204 1 133.859070391
Diffusion 83.8194 0.0641 5 16.763877669
Complete Updates 0.7044 0.0000 5 0.140875101
DeterminantRef::update 0.7043 0.7043 10 0.070433125
Current Gradient 3.7641 0.0502 30720 0.000122528
DeterminantRef::ratio 3.6932 3.6932 30720 0.000120220
OneBodyJastrowRef 0.0120 0.0120 30720 0.000000389
TwoBodyJastrowRef 0.0087 0.0087 30720 0.000000284
Kinetic Energy 0.8767 0.8756 5 0.175346557
OneBodyJastrowRef 0.0005 0.0005 5 0.000102565
TwoBodyJastrowRef 0.0006 0.0006 5 0.000117510
New Gradient 21.7186 0.0576 30720 0.000706985
DeterminantRef::ratio 0.3270 0.3270 30720 0.000010644
DeterminantRef::spovgl 19.3431 1.1244 30720 0.000629658
Single-Particle Orbitals 18.2187 18.2187 30720 0.000593057
OneBodyJastrowRef 0.2007 0.2007 30720 0.000006535
TwoBodyJastrowRef 1.7902 1.7902 30720 0.000058274
ParticleSet:::acceptMove 9.4109 0.0468 15371 0.000612249
DTAAOMPTarget::update_e_e 9.2863 9.2863 15371 0.000604146
DTABOMPTarget::update_ion_e 0.0778 0.0778 15371 0.000005060
ParticleSet:::computeNewPosDT 3.2837 0.0326 30720 0.000106890
DTAAOMPTarget::move_e_e 3.0032 3.0032 30720 0.000097759
DTABOMPTarget::move_ion_e 0.2479 0.2479 30720 0.000008071
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001887
Update 43.9970 0.0233 15371 0.002862338
DeterminantRef::update 41.2809 41.2809 15371 0.002685632
OneBodyJastrowRef 0.0083 0.0083 15371 0.000000542
TwoBodyJastrowRef 2.6845 2.6845 15371 0.000174649
Initialization 8.0244 3.0509 1 8.024394253
DeterminantRef::inverse 1.6165 1.6165 2 0.808242599
DeterminantRef::spovgl 2.9002 0.1763 2 1.450115208
Single-Particle Orbitals 2.7240 2.7240 6144 0.000443354
OneBodyJastrowRef 0.0161 0.0161 1 0.016140430
ParticleSet:::update 0.2758 0.1458 2 0.137915366
DTAAOMPTarget::evaluate_e_e 0.1011 0.1011 1 0.101097808
DTABOMPTarget::evaluate_ion_e 0.0290 0.0051 1 0.028977271
DTABOMPTarget::offload_ion_e 0.0239 0.0239 1 0.023855423
TwoBodyJastrowRef 0.1648 0.1648 1 0.164790573
Pseudopotential 41.9949 0.1287 5 8.398972834
DeterminantRef::spoval 30.3064 0.6462 10215 0.002966855
Single-Particle Orbitals 29.6602 29.6602 122580 0.000241966
OneBodyJastrowRef 0.0768 0.0768 10215 0.000007519
ParticleSet:::update 9.1529 0.0294 10215 0.000896025
DTABOMPTarget::evaluate_e_virtual 8.3124 0.0120 10215 0.000813749
DTABOMPTarget::offload_e_virtual 8.3004 8.3004 10215 0.000812571
DTABOMPTarget::evaluate_ion_virtual 0.8111 0.0092 10215 0.000079399
DTABOMPTarget::offload_ion_virtual 0.8019 0.8019 10215 0.000078500
TwoBodyJastrowRef 2.3301 2.3301 10215 0.000228104
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 1.24749e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.99224e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 6.472e+07
Info: 1/2 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
##########################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9252/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1744121461/tools/lprof_npsu_run_0 #
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