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 478294)
* Info: Process launched (host o404, process 478295)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                                          0.1460     0.1460              1       0.145984154
  ParticleSet:::update                         0.0000     0.0000              1       0.000003571
Total                                         86.8373     0.1229              1      86.837337729
  Diffusion                                   44.3529     0.0416              5       8.870573900
    Complete Updates                           0.3175     0.0000              5       0.063501518
      DeterminantRef::update                   0.3175     0.3175             10       0.031748507
    Current Gradient                           2.1719     0.0336          30720       0.000070699
      DeterminantRef::ratio                    2.1170     2.1170          30720       0.000068914
      OneBodyJastrowRef                        0.0126     0.0126          30720       0.000000410
      TwoBodyJastrowRef                        0.0086     0.0086          30720       0.000000280
    Kinetic Energy                             0.5856     0.5852              5       0.117115931
      OneBodyJastrowRef                        0.0003     0.0003              5       0.000053260
      TwoBodyJastrowRef                        0.0002     0.0002              5       0.000031693
    New Gradient                              14.7142     0.0385          30720       0.000478977
      DeterminantRef::ratio                    0.3014     0.3014          30720       0.000009812
      DeterminantRef::spovgl                  13.1842     0.5312          30720       0.000429173
        Single-Particle Orbitals              12.6530    12.6530          30720       0.000411880
      OneBodyJastrowRef                        0.1206     0.1206          30720       0.000003925
      TwoBodyJastrowRef                        1.0695     1.0695          30720       0.000034816
    ParticleSet:::acceptMove                   4.4456     0.0238          15371       0.000289223
      DTAAOMPTarget::update_e_e                4.3734     4.3734          15371       0.000284520
      DTABOMPTarget::update_ion_e              0.0485     0.0485          15371       0.000003158
    ParticleSet:::computeNewPosDT              1.3519     0.0237          30720       0.000044007
      DTAAOMPTarget::move_e_e                  1.1901     1.1901          30720       0.000038740
      DTABOMPTarget::move_ion_e                0.1381     0.1381          30720       0.000004495
    ParticleSet:::donePbyP                     0.0000     0.0000              5       0.000001456
    Update                                    20.7246     0.0186          15371       0.001348294
      DeterminantRef::update                  19.5612    19.5612          15371       0.001272606
      OneBodyJastrowRef                        0.0043     0.0043          15371       0.000000283
      TwoBodyJastrowRef                        1.1404     1.1404          15371       0.000074194
  Initialization                               8.7378     4.9458              1       8.737754276
    DeterminantRef::inverse                    1.0890     1.0890              2       0.544479797
    DeterminantRef::spovgl                     2.2628     0.1131              2       1.131390555
      Single-Particle Orbitals                 2.1496     2.1496           6144       0.000349877
    OneBodyJastrowRef                          0.0177     0.0177              1       0.017671360
    ParticleSet:::update                       0.2828     0.0937              2       0.141392900
      DTAAOMPTarget::evaluate_e_e              0.1575     0.1575              1       0.157459751
      DTABOMPTarget::evaluate_ion_e            0.0316     0.0001              1       0.031634996
        DTABOMPTarget::offload_ion_e           0.0315     0.0315              1       0.031504483
    TwoBodyJastrowRef                          0.1398     0.1398              1       0.139750432
  Pseudopotential                             33.6238     0.1055              5       6.724758276
    DeterminantRef::spoval                    24.4111     0.5434          10215       0.002389728
      Single-Particle Orbitals                23.8677    23.8677         122580       0.000194711
    OneBodyJastrowRef                          0.0557     0.0557          10215       0.000005457
    ParticleSet:::update                       7.7357     0.0216          10215       0.000757288
      DTABOMPTarget::evaluate_e_virtual        7.0980     0.0099          10215       0.000694863
        DTABOMPTarget::offload_e_virtual       7.0882     7.0882          10215       0.000693897
      DTABOMPTarget::evaluate_ion_virtual      0.6161     0.0088          10215       0.000060316
        DTABOMPTarget::offload_ion_virtual     0.6073     0.6073          10215       0.000059454
    TwoBodyJastrowRef                          1.3158     1.3158          10215       0.000128812

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

Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.99134e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 5.85666e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.2574e+08


* Info: Process finished (host o404, process 478295)
* Info: Process finished (host o404, process 478294)

Your experiment path is /scratch_na/users/xoserete/qaas_runs/171-417-3180/intel/miniqmc/run/oneview_runs/compilers/icx_1/oneview_results_1714185014/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/icx_1/oneview_results_1714185014/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/icx_1/oneview_results_1714185014/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/icx_1/oneview_results_1714185014/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/icx_1/oneview_results_1714185014/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/icx_1/oneview_results_1714185014/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/icx_1/oneview_results_1714185014/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/icx_1/oneview_results_1714185014/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/icx_1/oneview_results_1714185014/tools/lprof_npsu_run_0  #
##############################################################################################################################################################################################################

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