options

Executable Output


* Info: Selecting the 'perf-low-ppn' engine for node skylake

* Info: Process launched (host skylake, process 662029)miniqmc git branch: OMP_offload
miniqmc git commit: de45b04eb021c4b57ba6f4bee8f563c614d11135

number of ranks : 1, number of accelerators : 0
Number of orbitals/splines = 1536
Tile size = 1536
Number of tiles = 1
Number of electrons = 3072
Rmax = 1.7
AcceptanceRatio = 0.5
Iterations = 5
OpenMP threads = 16
Number of walkers per rank = 16

SPO coefficients size = 786432000 bytes (750 MB)
delayed update rank = 32
Using SoA distance table, Jastrow + einspline, 
and determinant update.
================================== 

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                                          0.0351     0.0351              1       0.035084904
  ParticleSet:::update                         0.0000     0.0000              1       0.000000994
Total                                         35.3024     0.2066              1      35.302359362
  Diffusion                                   14.1569     0.0259              5       2.831380165
    Complete Updates                           0.0680     0.0000              5       0.013590227
      Determinant::update                      0.0679     0.0679             10       0.006793341
    Current Gradient                           0.4231     0.0145          15360       0.000027543
      Determinant::ratio                       0.4017     0.4017          15360       0.000026152
      OneBodyJastrow                           0.0040     0.0040          15360       0.000000259
      TwoBodyJastrow                           0.0028     0.0028          15360       0.000000184
    Kinetic Energy                             0.1030     0.1028              5       0.020609837
      OneBodyJastrow                           0.0001     0.0001              5       0.000025152
      TwoBodyJastrow                           0.0001     0.0001              5       0.000025216
    New Gradient                               9.2381     0.0168          15360       0.000601441
      Determinant::ratio                       0.0610     0.0610          15360       0.000003968
      Determinant::spovgl                      8.9471     0.1437          15360       0.000582496
        Single-Particle Orbitals               8.8034     8.8034          15360       0.000573140
      OneBodyJastrow                           0.0253     0.0253          15360       0.000001648
      TwoBodyJastrow                           0.1879     0.1879          15360       0.000012235
    ParticleSet:::acceptMove                   1.5092     0.0065           7611       0.000198289
      DTAAOMPTarget::update_e_e                1.4890     1.4890           7611       0.000195640
      DTABOMPTarget::update_ion_e              0.0136     0.0136           7611       0.000001791
    ParticleSet:::computeNewPosDT              0.2541     0.0083          15360       0.000016541
      DTAAOMPTarget::move_e_e                  0.2096     0.2096          15360       0.000013643
      DTABOMPTarget::move_ion_e                0.0362     0.0362          15360       0.000002355
    ParticleSet:::donePbyP                     0.0000     0.0000              5       0.000001517
    Update                                     2.5355     0.0079           7611       0.000333137
      Determinant::update                      2.2910     2.2910           7611       0.000301014
      OneBodyJastrow                           0.0015     0.0015           7611       0.000000196
      TwoBodyJastrow                           0.2351     0.2351           7611       0.000030887
  Initialization                               2.5955     0.4614              1       2.595456712
    Determinant::inverse                       0.2314     0.2314              2       0.115721759
    Determinant::spovgl                        1.8212     0.0406              2       0.910615461
      Single-Particle Orbitals                 1.7807     1.7807           3072       0.000579645
    OneBodyJastrow                             0.0034     0.0034              1       0.003381389
    ParticleSet:::update                       0.0451     0.0226              2       0.022533880
      DTAAOMPTarget::evaluate_e_e              0.0173     0.0173              1       0.017285574
      DTABOMPTarget::evaluate_ion_e            0.0052     0.0008              1       0.005160034
        DTABOMPTarget::offload_ion_e           0.0044     0.0044              1       0.004362124
    TwoBodyJastrow                             0.0330     0.0330              1       0.032964125
  Pseudopotential                             18.3434     0.0285              5       3.668677637
    Determinant::spoval                       17.2988     0.0214           5359       0.003227982
      Single-Particle Orbitals                17.2774    17.2774           5359       0.003223991
    OneBodyJastrow                             0.0223     0.0223           5359       0.000004154
    ParticleSet:::update                       0.7406     0.0086           5359       0.000138204
      DTABOMPTarget::evaluate_e_virtual        0.6363     0.0035           5359       0.000118727
        DTABOMPTarget::offload_e_virtual       0.6327     0.6327           5359       0.000118068
      DTABOMPTarget::evaluate_ion_virtual      0.0958     0.0033           5359       0.000017880
        DTABOMPTarget::offload_ion_virtual     0.0925     0.0925           5359       0.000017266
    TwoBodyJastrow                             0.2532     0.2532           5359       0.000047253

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

Total throughput ( N_walkers * N_elec^3 / Total time ) = 1.31395e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.27654e+10
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 8.23157e+06


* Info: Process finished (host skylake, process 662029)
* Info: Dumping samples (host skylake, process 662029)
* Info: Dumping source info for callchain nodes (host skylake, process 662029)
* Info: Building/writing metadata (host skylake)
* Info: Finished collect step (host skylake, process 662029)

Your experiment path is /home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0

To display your profiling results:
##############################################################################################################################################
#    LEVEL    |     REPORT     |                                                   COMMAND                                                   #
##############################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/home/eoseret/miniqmc/build_icx/bin/OV3_miniqmc_icx_zmm_16T/tools/lprof_npsu_run_0  #
##############################################################################################################################################

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