options

Executable Output


* Info: Detected 1 Lprof instances in ip-172-31-42-13: processes-per-node/ppn set accordingly.
If this is incorrect, rerun with an explicit value for this setting

* Info: Process launched (host ip-172-31-42-13, process 8244)miniqmc not built from git repository

number of ranks : 1, 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 = 1
OpenMP threads = 64
Number of walkers per rank = 64

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                                          0.0861     0.0861              1       0.086097316
  ParticleSet:::update                         0.0000     0.0000              1       0.000003164
Total                                        172.4721    17.8093              1     172.472081136
  Diffusion                                  102.2390     0.0811              5      20.447802239
    Complete Updates                           1.2183     0.0000              5       0.243656913
      DeterminantRef::update                   1.2182     1.2182             10       0.121824055
    Current Gradient                           5.1559     0.0816          30720       0.000167835
      DeterminantRef::ratio                    5.0077     5.0077          30720       0.000163011
      OneBodyJastrowRef                        0.0433     0.0433          30720       0.000001409
      TwoBodyJastrowRef                        0.0233     0.0233          30720       0.000000759
    Kinetic Energy                             0.8904     0.8897              5       0.178079333
      OneBodyJastrowRef                        0.0004     0.0004              5       0.000082640
      TwoBodyJastrowRef                        0.0003     0.0003              5       0.000052871
    New Gradient                              13.4375     0.0881          30720       0.000437418
      DeterminantRef::ratio                    0.1823     0.1823          30720       0.000005933
      DeterminantRef::spovgl                  11.5201     0.4666          30720       0.000375003
        Single-Particle Orbitals              11.0534    11.0534          30720       0.000359813
      OneBodyJastrowRef                        0.1906     0.1906          30720       0.000006204
      TwoBodyJastrowRef                        1.4564     1.4564          30720       0.000047409
    ParticleSet:::acceptMove                  14.3838     0.0513          15371       0.000935778
      DTAAOMPTarget::update_e_e               14.2436    14.2436          15371       0.000926654
      DTABOMPTarget::update_ion_e              0.0890     0.0890          15371       0.000005788
    ParticleSet:::computeNewPosDT              2.3959     0.0557          30720       0.000077990
      DTAAOMPTarget::move_e_e                  2.1284     2.1284          30720       0.000069283
      DTABOMPTarget::move_ion_e                0.2118     0.2118          30720       0.000006894
    ParticleSet:::donePbyP                     0.0000     0.0000              5       0.000001722
    Update                                    64.6761     0.0433          15371       0.004207672
      DeterminantRef::update                  62.7907    62.7907          15371       0.004085009
      OneBodyJastrowRef                        0.0115     0.0115          15371       0.000000747
      TwoBodyJastrowRef                        1.8307     1.8307          15371       0.000119098
  Initialization                              11.2219     5.4481              1      11.221920962
    DeterminantRef::inverse                    3.0032     3.0032              2       1.501615157
    DeterminantRef::spovgl                     2.4186     0.0890              2       1.209324821
      Single-Particle Orbitals                 2.3296     2.3296           6144       0.000379173
    OneBodyJastrowRef                          0.0118     0.0118              1       0.011820302
    ParticleSet:::update                       0.2110     0.0982              2       0.105513070
      DTAAOMPTarget::evaluate_e_e              0.0792     0.0792              1       0.079213972
      DTABOMPTarget::evaluate_ion_e            0.0336     0.0001              1       0.033576544
        DTABOMPTarget::offload_ion_e           0.0335     0.0335              1       0.033503914
    TwoBodyJastrowRef                          0.1291     0.1291              1       0.129071229
  Pseudopotential                             41.2019     0.1967              5       8.240370523
    DeterminantRef::spoval                    32.4369     0.6956          10215       0.003175423
      Single-Particle Orbitals                31.7413    31.7413         122580       0.000258944
    OneBodyJastrowRef                          0.1028     0.1028          10215       0.000010061
    ParticleSet:::update                       6.4147     0.0399          10215       0.000627968
      DTABOMPTarget::evaluate_e_virtual        5.8032     0.0159          10215       0.000568107
        DTABOMPTarget::offload_e_virtual       5.7873     5.7873          10215       0.000566554
      DTABOMPTarget::evaluate_ion_virtual      0.5716     0.0130          10215       0.000055952
        DTABOMPTarget::offload_ion_virtual     0.5586     0.5586          10215       0.000054680
    TwoBodyJastrowRef                          2.0508     2.0508          10215       0.000200760

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

Total throughput ( N_walkers * N_elec^3 / Total time ) = 8.60627e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.45183e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 5.86362e+07




Your experiment path is /home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0

To display your profiling results:
#######################################################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                                               COMMAND                                                                                #
#######################################################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0  #
#######################################################################################################################################################################################################

×