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 499488)
* Info: Process launched (host ip-172-31-68-94, process 499489)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                                          0.0903     0.0903              1       0.090301655
  ParticleSet:::update                         0.0000     0.0000              1       0.000004000
Total                                        191.9151     1.3338              1     191.915114514
  Diffusion                                  116.2640     0.0484              5      23.252800134
    Complete Updates                           1.5115     0.0001              5       0.302299145
      DeterminantRef::update                   1.5114     1.5114             10       0.151142622
    Current Gradient                           1.8417     0.0347          30720       0.000059950
      DeterminantRef::ratio                    1.7919     1.7919          30720       0.000058329
      OneBodyJastrowRef                        0.0092     0.0092          30720       0.000000299
      TwoBodyJastrowRef                        0.0059     0.0059          30720       0.000000191
    Kinetic Energy                             1.2068     1.2057              5       0.241364363
      OneBodyJastrowRef                        0.0007     0.0007              5       0.000138377
      TwoBodyJastrowRef                        0.0004     0.0004              5       0.000087473
    New Gradient                              14.0582     0.0312          30720       0.000457623
      DeterminantRef::ratio                    0.0819     0.0819          30720       0.000002667
      DeterminantRef::spovgl                  13.1122     0.5367          30720       0.000426830
        Single-Particle Orbitals              12.5755    12.5755          30720       0.000409358
      OneBodyJastrowRef                        0.0879     0.0879          30720       0.000002861
      TwoBodyJastrowRef                        0.7449     0.7449          30720       0.000024250
    ParticleSet:::acceptMove                   4.3253     0.0186          15371       0.000281396
      DTAAOMPTarget::update_e_e                4.2562     4.2562          15371       0.000276900
      DTABOMPTarget::update_ion_e              0.0505     0.0505          15371       0.000003288
    ParticleSet:::computeNewPosDT              1.0321     0.0180          30720       0.000033596
      DTAAOMPTarget::move_e_e                  0.8347     0.8347          30720       0.000027172
      DTABOMPTarget::move_ion_e                0.1794     0.1794          30720       0.000005839
    ParticleSet:::donePbyP                     0.0000     0.0000              5       0.000007278
    Update                                    92.2400     0.0251          15371       0.006000909
      DeterminantRef::update                  90.8020    90.8020          15371       0.005907357
      OneBodyJastrowRef                        0.0041     0.0041          15371       0.000000264
      TwoBodyJastrowRef                        1.4088     1.4088          15371       0.000091655
  Initialization                              15.3110     5.1060              1      15.311017197
    DeterminantRef::inverse                    6.3434     6.3434              2       3.171676910
    DeterminantRef::spovgl                     3.2562     0.3283              2       1.628122075
      Single-Particle Orbitals                 2.9279     2.9279           6144       0.000476550
    OneBodyJastrowRef                          0.0259     0.0259              1       0.025875567
    ParticleSet:::update                       0.4512     0.2331              2       0.225585768
      DTAAOMPTarget::evaluate_e_e              0.1864     0.1864              1       0.186449274
      DTABOMPTarget::evaluate_ion_e            0.0317     0.0005              1       0.031669518
        DTABOMPTarget::offload_ion_e           0.0312     0.0312              1       0.031159043
    TwoBodyJastrowRef                          0.1284     0.1284              1       0.128398473
  Pseudopotential                             59.0063     0.3740              5      11.801268167
    DeterminantRef::spoval                    48.0849     1.2688          10215       0.004707286
      Single-Particle Orbitals                46.8161    46.8161         122580       0.000381923
    OneBodyJastrowRef                          0.2035     0.2035          10215       0.000019926
    ParticleSet:::update                       7.5340     0.0678          10215       0.000737546
      DTABOMPTarget::evaluate_e_virtual        6.7793     0.0258          10215       0.000663666
        DTABOMPTarget::offload_e_virtual       6.7535     6.7535          10215       0.000661139
      DTABOMPTarget::evaluate_ion_virtual      0.6869     0.0203          10215       0.000067245
        DTABOMPTarget::offload_ion_virtual     0.6666     0.6666          10215       0.000065257
    TwoBodyJastrowRef                          2.8099     2.8099          10215       0.000275073

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

Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.32031e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.8301e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.2283e+08


* Info: Process finished (host ip-172-31-68-94, process 499489)
* Info: Process finished (host ip-172-31-68-94, process 499488)

Your experiment path is /home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/compilers/clang_14/oneview_results_1702561534/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/compilers/clang_14/oneview_results_1702561534/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/compilers/clang_14/oneview_results_1702561534/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/compilers/clang_14/oneview_results_1702561534/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/compilers/clang_14/oneview_results_1702561534/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/home/kcamus/qaas_runs/170-254-9426/intel/miniqmc/run/oneview_runs/compilers/clang_14/oneview_results_1702561534/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/compilers/clang_14/oneview_results_1702561534/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/compilers/clang_14/oneview_results_1702561534/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/compilers/clang_14/oneview_results_1702561534/tools/lprof_npsu_run_0  #
###################################################################################################################################################################################################

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