options

Executable Output

sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'
/bin/sh: module: line 1: syntax error: unexpected end of file
/bin/sh: error importing function definition for `module'
/bin/sh: ml: line 1: syntax error: unexpected end of file
/bin/sh: error importing function definition for `ml'
/bin/sh: _module_raw: line 1: syntax error: unexpected end of file
/bin/sh: error importing function definition for `_module_raw'
/bin/sh: which: line 1: syntax error: unexpected end of file
/bin/sh: error importing function definition for `which'
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'

* Info: Detected 2 Lprof instances in gmz16.benchmarkcenter.megware.com: 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 gmz16.benchmarkcenter.megware.com

* Info: "ref-cycles" not supported on gmz16.benchmarkcenter.megware.com: fallback to "cpu-clock"
* Warning: Found no event able to derive walltime: prepending cpu-clock
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 426245)
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 426244)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                                          0.0815     0.0815              1       0.081490829
  ParticleSet:::update                         0.0000     0.0000              1       0.000003080
Total                                        205.6878    15.8744              1     205.687770946
  Diffusion                                  114.5892     0.0571              5      22.917845073
    Complete Updates                           2.0013     0.0001              5       0.400268372
      DeterminantRef::update                   2.0012     2.0012             10       0.200123063
    Current Gradient                           1.7398     0.0286          30720       0.000056634
      DeterminantRef::ratio                    1.6996     1.6996          30720       0.000055326
      OneBodyJastrowRef                        0.0060     0.0060          30720       0.000000195
      TwoBodyJastrowRef                        0.0056     0.0056          30720       0.000000182
    Kinetic Energy                             1.2113     1.2101              5       0.242267898
      OneBodyJastrowRef                        0.0008     0.0008              5       0.000160834
      TwoBodyJastrowRef                        0.0005     0.0005              5       0.000095950
    New Gradient                              10.2806     0.0526          30720       0.000334654
      DeterminantRef::ratio                    0.0917     0.0917          30720       0.000002985
      DeterminantRef::spovgl                   9.2019     0.5740          30720       0.000299541
        Single-Particle Orbitals               8.6279     8.6279          30720       0.000280856
      OneBodyJastrowRef                        0.1196     0.1196          30720       0.000003892
      TwoBodyJastrowRef                        0.8148     0.8148          30720       0.000026524
    ParticleSet:::acceptMove                   2.8826     0.0183          15371       0.000187535
      DTAAOMPTarget::update_e_e                2.8184     2.8184          15371       0.000183360
      DTABOMPTarget::update_ion_e              0.0459     0.0459          15371       0.000002987
    ParticleSet:::computeNewPosDT              1.0577     0.0161          30720       0.000034430
      DTAAOMPTarget::move_e_e                  0.8914     0.8914          30720       0.000029018
      DTABOMPTarget::move_ion_e                0.1501     0.1501          30720       0.000004888
    ParticleSet:::donePbyP                     0.0000     0.0000              5       0.000008966
    Update                                    95.3588     0.0279          15371       0.006203810
      DeterminantRef::update                  94.2415    94.2415          15371       0.006131126
      OneBodyJastrowRef                        0.0045     0.0045          15371       0.000000296
      TwoBodyJastrowRef                        1.0848     1.0848          15371       0.000070572
  Initialization                              11.5857     2.2586              1      11.585732605
    DeterminantRef::inverse                    5.1163     5.1163              2       2.558146442
    DeterminantRef::spovgl                     3.6530     0.2462              2       1.826508400
      Single-Particle Orbitals                 3.4068     3.4068           6144       0.000554496
    OneBodyJastrowRef                          0.0054     0.0054              1       0.005387774
    ParticleSet:::update                       0.4929     0.4027              2       0.246453811
      DTAAOMPTarget::evaluate_e_e              0.0485     0.0485              1       0.048471265
      DTABOMPTarget::evaluate_ion_e            0.0417     0.0300              1       0.041711210
        DTABOMPTarget::offload_ion_e           0.0117     0.0117              1       0.011661658
    TwoBodyJastrowRef                          0.0596     0.0596              1       0.059571762
  Pseudopotential                             63.6385     0.3486              5      12.727690279
    DeterminantRef::spoval                    52.4389     1.9454          10215       0.005133521
      Single-Particle Orbitals                50.4935    50.4935         122580       0.000411923
    OneBodyJastrowRef                          0.2031     0.2031          10215       0.000019880
    ParticleSet:::update                       7.9868     0.0715          10215       0.000781869
      DTABOMPTarget::evaluate_e_virtual        7.1501     0.0307          10215       0.000699964
        DTABOMPTarget::offload_e_virtual       7.1194     7.1194          10215       0.000696958
      DTABOMPTarget::evaluate_ion_virtual      0.7652     0.0238          10215       0.000074907
        DTABOMPTarget::offload_ion_virtual     0.7414     0.7414          10215       0.000072575
    TwoBodyJastrowRef                          2.6611     2.6611          10215       0.000260505

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

Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.16494e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.88607e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.1389e+08


* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 426244)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 426244) Observed more threads (97) than expected (96): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=97.

* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 426245)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 426245) Observed more threads (97) than expected (96): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=97.
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'
sh: module: line 1: syntax error: unexpected end of file
sh: error importing function definition for `module'
sh: ml: line 1: syntax error: unexpected end of file
sh: error importing function definition for `ml'
sh: _module_raw: line 1: syntax error: unexpected end of file
sh: error importing function definition for `_module_raw'
sh: which: line 1: syntax error: unexpected end of file
sh: error importing function definition for `which'


Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0

To display your profiling results:
#####################################################################################################################################################################################################################
#    LEVEL    |     REPORT     |                                                                                      COMMAND                                                                                       #
#####################################################################################################################################################################################################################
#  Functions  |  Cluster-wide  |  maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0      #
#  Functions  |  Per-node      |  maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0  #
#  Functions  |  Per-process   |  maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0  #
#  Functions  |  Per-thread    |  maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0  #
#  Loops      |  Cluster-wide  |  maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0      #
#  Loops      |  Per-node      |  maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0  #
#  Loops      |  Per-process   |  maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0  #
#  Loops      |  Per-thread    |  maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/aocc_13/oneview_results_1708580242/tools/lprof_npsu_run_0  #
#####################################################################################################################################################################################################################

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