options

Executable Output


* Info: Detected 2 Lprof instances in o404: processes-per-node/ppn set accordingly.
If this is incorrect, rerun with an explicit value for this setting

* Info: Selecting the 'perf-high-ppn' engine for node o404

* Info: Process launched (host o404, process 478875)
* Info: Process launched (host o404, process 478874)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 = 56
Number of walkers per rank = 56

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                                          0.1387     0.1387              1       0.138706065
  ParticleSet:::update                         0.0000     0.0000              1       0.000003921
Total                                         95.4777     2.7940              1      95.477659643
  Diffusion                                   49.2033     0.0465              5       9.840668444
    Complete Updates                           0.3320     0.0000              5       0.066400234
      DeterminantRef::update                   0.3320     0.3320             10       0.033197757
    Current Gradient                           2.1804     0.0306          30720       0.000070978
      DeterminantRef::ratio                    2.1299     2.1299          30720       0.000069334
      OneBodyJastrowRef                        0.0122     0.0122          30720       0.000000396
      TwoBodyJastrowRef                        0.0077     0.0077          30720       0.000000251
    Kinetic Energy                             0.5523     0.5517              5       0.110457249
      OneBodyJastrowRef                        0.0003     0.0003              5       0.000053268
      TwoBodyJastrowRef                        0.0003     0.0003              5       0.000054027
    New Gradient                              18.9547     0.0333          30720       0.000617016
      DeterminantRef::ratio                    0.1946     0.1946          30720       0.000006336
      DeterminantRef::spovgl                  17.4567     0.6081          30720       0.000568253
        Single-Particle Orbitals              16.8487    16.8487          30720       0.000548460
      OneBodyJastrowRef                        0.1019     0.1019          30720       0.000003318
      TwoBodyJastrowRef                        1.1681     1.1681          30720       0.000038025
    ParticleSet:::acceptMove                   4.3270     0.0211          15371       0.000281503
      DTAAOMPTarget::update_e_e                4.2616     4.2616          15371       0.000277247
      DTABOMPTarget::update_ion_e              0.0443     0.0443          15371       0.000002884
    ParticleSet:::computeNewPosDT              1.7854     0.0187          30720       0.000058120
      DTAAOMPTarget::move_e_e                  1.6075     1.6075          30720       0.000052328
      DTABOMPTarget::move_ion_e                0.1593     0.1593          30720       0.000005184
    ParticleSet:::donePbyP                     0.0000     0.0000              5       0.000002008
    Update                                    21.0249     0.0163          15371       0.001367832
      DeterminantRef::update                  19.7121    19.7121          15371       0.001282421
      OneBodyJastrowRef                        0.0039     0.0039          15371       0.000000257
      TwoBodyJastrowRef                        1.2926     1.2926          15371       0.000084096
  Initialization                               9.1608     4.6771              1       9.160832864
    DeterminantRef::inverse                    1.2135     1.2135              2       0.606766582
    DeterminantRef::spovgl                     2.8297     0.1188              2       1.414864145
      Single-Particle Orbitals                 2.7109     2.7109           6144       0.000441234
    OneBodyJastrowRef                          0.0176     0.0176              1       0.017636294
    ParticleSet:::update                       0.2782     0.0753              2       0.139118351
      DTAAOMPTarget::evaluate_e_e              0.1689     0.1689              1       0.168862433
      DTABOMPTarget::evaluate_ion_e            0.0341     0.0001              1       0.034087869
        DTABOMPTarget::offload_ion_e           0.0340     0.0340              1       0.033971395
    TwoBodyJastrowRef                          0.1446     0.1446              1       0.144640974
  Pseudopotential                             34.3195     0.1122              5       6.863896004
    DeterminantRef::spoval                    22.1033     0.5998          10215       0.002163804
      Single-Particle Orbitals                21.5034    21.5034         122580       0.000175424
    OneBodyJastrowRef                          0.0654     0.0654          10215       0.000006407
    ParticleSet:::update                      10.3456     0.0254          10215       0.001012782
      DTABOMPTarget::evaluate_e_virtual        9.4864     0.0090          10215       0.000928674
        DTABOMPTarget::offload_e_virtual       9.4774     9.4774          10215       0.000927789
      DTABOMPTarget::evaluate_ion_virtual      0.8338     0.0078          10215       0.000081623
        DTABOMPTarget::offload_ion_virtual     0.8260     0.8260          10215       0.000080859
    TwoBodyJastrowRef                          1.6930     1.6930          10215       0.000165737

========== Throughput ============ 

Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.72063e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 5.27931e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.23191e+08


* Info: Process finished (host o404, process 478875)
* Info: Process finished (host o404, process 478874)

Your experiment path is /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0

To display your profiling results:
###############################################################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                                                   COMMAND                                                                                    #
###############################################################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/gcc_11/oneview_results_1714185156/tools/lprof_npsu_run_0  #
###############################################################################################################################################################################################################

×