options

Executable Output


* 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

* Info: Selecting the 'perf-low-ppn' engine for node ip-172-31-68-94

* Info: "ref-cycles" not supported on ip-172-31-68-94: fallback to "cpu-clock"
* Info: Process launched (host ip-172-31-68-94, process 426073)
* Info: Process launched (host ip-172-31-68-94, process 426074)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 = 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)
* Info: Process finished (host ip-172-31-68-94, process 426073)

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:
##############################################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                                           COMMAND                                                                           #
##############################################################################################################################################################################################
#  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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