options

Executable Output


* Info: Detected 1 Lprof instances in skylake: 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 skylake

* Info: Process launched (host skylake, process 645844)miniqmc not built from git repository

number of ranks : 1, number of accelerators : 0
Number of orbitals/splines = 384
Tile size = 384
Number of tiles = 1
Number of electrons = 768
Rmax = 1.7
AcceptanceRatio = 0.5
Iterations = 5
MPI processes = 1
OpenMP threads = 1
Number of walkers per rank = 1

SPO coefficients size = 196608000 bytes (187.5 MB)
delayed update rank = 32
Using the reference implementation for Jastrow, 
determinant update, and distance table + einspline of the 
reference implementation 
================================== 
Stack timer profile
Timer                             Inclusive_time  Exclusive_time  Calls       Time_per_call
Setup                                0.1035     0.1035              1       0.103501683
Total                                1.3421     0.0001              1       1.342052575
  Diffusion                          0.4731     0.0028              5       0.094612875
    Accept move                      0.0013     0.0013           1913       0.000000703
    Complete Updates                 0.0024     0.0000              5       0.000470122
      DeterminantRef::update         0.0023     0.0023             10       0.000234526
    Current Gradient                 0.0206     0.0014           3840       0.000005355
      DeterminantRef::ratio          0.0184     0.0184           3840       0.000004798
      OneBodyJastrowRef              0.0004     0.0004           3840       0.000000114
      TwoBodyJastrowRef              0.0003     0.0003           3840       0.000000074
    Kinetic Energy                   0.0089     0.0089              5       0.001785435
      OneBodyJastrowRef              0.0000     0.0000              5       0.000007037
      TwoBodyJastrowRef              0.0000     0.0000              5       0.000003847
    Make move                        0.1085     0.1085           3840       0.000028247
    New Gradient                     0.1656     0.0017           3840       0.000043119
      DeterminantRef::ratio          0.0066     0.0066           3840       0.000001730
      DeterminantRef::spovgl         0.1147     0.0068           3840       0.000029862
        Single-Particle Orbitals     0.1078     0.1078           3840       0.000028080
      OneBodyJastrowRef              0.0038     0.0038           3840       0.000000987
      TwoBodyJastrowRef              0.0388     0.0388           3840       0.000010094
    Set active                       0.1089     0.1089           3840       0.000028362
    Update                           0.0542     0.0009           1913       0.000028320
      DeterminantRef::update         0.0320     0.0320           1913       0.000016720
      OneBodyJastrowRef              0.0002     0.0002           1913       0.000000082
      TwoBodyJastrowRef              0.0211     0.0211           1913       0.000011027
  Initialization                     0.0904     0.0453              1       0.090370962
    DeterminantRef::inverse          0.0114     0.0114              2       0.005682695
    DeterminantRef::spovgl           0.0268     0.0021              2       0.013380515
      Single-Particle Orbitals       0.0247     0.0247            768       0.000032118
    OneBodyJastrowRef                0.0007     0.0007              1       0.000661187
    TwoBodyJastrowRef                0.0062     0.0062              1       0.006241160
  Pseudopotential                    0.7785     0.0045              5       0.155698656
    Make move                        0.4456     0.4456          15792       0.000028214
    Value                            0.3285     0.0070          15792       0.000020799
      DeterminantRef::ratio          0.0128     0.0128          15792       0.000000813
      DeterminantRef::spoval         0.2428     0.0036          15792       0.000015376
        Single-Particle Orbitals     0.2393     0.2393          15792       0.000015151
      OneBodyJastrowRef              0.0058     0.0058          15792       0.000000368
      TwoBodyJastrowRef              0.0600     0.0600          15792       0.000003800

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

Total throughput ( N_walkers * N_elec^3 / Total time ) = 3.37531e+08
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 9.57554e+08
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 757648


* Info: Process finished (host skylake, process 645844)

Your experiment path is /home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0

To display your profiling results:
###############################################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                                           COMMAND                                                                            #
###############################################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/home/kcamus/qaas_runs/169-390-4082/intel/miniqmc/run/oneview_runs/unicore/gcc_14/oneview_results_1693907685/tools/lprof_npsu_run_0  #
###############################################################################################################################################################################################

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