* Info: Detected 2 Lprof instances in ip-172-31-68-94: processes-per-node/ppn set accordingly.
If this is incorrect, rerun with an explicit value for this setting
[0m
* Info: Selecting the 'perf-low-ppn' engine for node ip-172-31-68-94
[0m
* Info: "ref-cycles" not supported on ip-172-31-68-94: fallback to "cpu-clock"[0m
* Info: Process launched (host ip-172-31-68-94, process 426073)[0m
* Info: Process launched (host ip-172-31-68-94, process 426074)[0mminiqmc 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 = 96
Number of walkers per rank = 96
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 0.0877 0.0877 1 0.087705064
ParticleSet:::update 0.0000 0.0000 1 0.000003850
Total 191.7505 0.9998 1 191.750542267
Diffusion 115.7223 0.0398 5 23.144458083
Complete Updates 1.4310 0.0001 5 0.286197939
DeterminantRef::update 1.4309 1.4309 10 0.143092780
Current Gradient 1.9287 0.0333 30720 0.000062784
DeterminantRef::ratio 1.8780 1.8780 30720 0.000061133
OneBodyJastrowRef 0.0104 0.0104 30720 0.000000339
TwoBodyJastrowRef 0.0071 0.0071 30720 0.000000230
Kinetic Energy 1.0698 1.0687 5 0.213961229
OneBodyJastrowRef 0.0007 0.0007 5 0.000138550
TwoBodyJastrowRef 0.0004 0.0004 5 0.000075107
New Gradient 14.4327 0.0363 30720 0.000469813
DeterminantRef::ratio 0.0823 0.0823 30720 0.000002680
DeterminantRef::spovgl 13.4523 0.5668 30720 0.000437899
Single-Particle Orbitals 12.8855 12.8855 30720 0.000419449
OneBodyJastrowRef 0.0841 0.0841 30720 0.000002737
TwoBodyJastrowRef 0.7777 0.7777 30720 0.000025317
ParticleSet:::acceptMove 4.6355 0.0191 15371 0.000301572
DTAAOMPTarget::update_e_e 4.5627 4.5627 15371 0.000296838
DTABOMPTarget::update_ion_e 0.0537 0.0537 15371 0.000003493
ParticleSet:::computeNewPosDT 1.0254 0.0152 30720 0.000033380
DTAAOMPTarget::move_e_e 0.8288 0.8288 30720 0.000026978
DTABOMPTarget::move_ion_e 0.1815 0.1815 30720 0.000005909
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000005374
Update 91.1594 0.0241 15371 0.005930610
DeterminantRef::update 89.6564 89.6564 15371 0.005832829
OneBodyJastrowRef 0.0040 0.0040 15371 0.000000259
TwoBodyJastrowRef 1.4749 1.4749 15371 0.000095955
Initialization 15.2992 5.0484 1 15.299151662
DeterminantRef::inverse 6.3751 6.3751 2 3.187546717
DeterminantRef::spovgl 3.2562 0.3210 2 1.628124630
Single-Particle Orbitals 2.9352 2.9352 6144 0.000477738
OneBodyJastrowRef 0.0250 0.0250 1 0.024951783
ParticleSet:::update 0.4686 0.1823 2 0.234275106
DTAAOMPTarget::evaluate_e_e 0.2466 0.2466 1 0.246598031
DTABOMPTarget::evaluate_ion_e 0.0396 0.0003 1 0.039627825
DTABOMPTarget::offload_ion_e 0.0393 0.0393 1 0.039330912
TwoBodyJastrowRef 0.1259 0.1259 1 0.125927587
Pseudopotential 59.7293 0.3179 5 11.945859337
DeterminantRef::spoval 48.5809 1.3321 10215 0.004755841
Single-Particle Orbitals 47.2488 47.2488 122580 0.000385453
OneBodyJastrowRef 0.2122 0.2122 10215 0.000020775
ParticleSet:::update 7.7328 0.0618 10215 0.000757005
DTABOMPTarget::evaluate_e_virtual 6.9356 0.0231 10215 0.000678963
DTABOMPTarget::offload_e_virtual 6.9125 6.9125 10215 0.000676699
DTABOMPTarget::evaluate_ion_virtual 0.7354 0.0159 10215 0.000071996
DTABOMPTarget::offload_ion_virtual 0.7195 0.7195 10215 0.000070439
TwoBodyJastrowRef 2.8855 2.8855 10215 0.000282476
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.3223e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.84802e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.21343e+08
* Info: Process finished (host ip-172-31-68-94, process 426074)[0m
* Info: Process finished (host ip-172-31-68-94, process 426073)[0m
Info: 1/2 lprof instances finished
Your experiment path is /home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/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/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1702551880/tools/lprof_npsu_run_0 #
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