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 426722)
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 426723)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                                          0.0795     0.0795              1       0.079538144
  ParticleSet:::update                         0.0000     0.0000              1       0.000001120
Total                                        209.3253    15.4046              1     209.325297143
  Diffusion                                  115.9033     0.0742              5      23.180655591
    Complete Updates                           1.9527     0.0001              5       0.390542824
      DeterminantRef::update                   1.9526     1.9526             10       0.195260787
    Current Gradient                           1.7613     0.0413          30720       0.000057335
      DeterminantRef::ratio                    1.7071     1.7071          30720       0.000055569
      OneBodyJastrowRef                        0.0078     0.0078          30720       0.000000253
      TwoBodyJastrowRef                        0.0052     0.0052          30720       0.000000170
    Kinetic Energy                             1.1961     1.1948              5       0.239223582
      OneBodyJastrowRef                        0.0008     0.0008              5       0.000159826
      TwoBodyJastrowRef                        0.0005     0.0005              5       0.000108156
    New Gradient                              12.5358     0.0490          30720       0.000408065
      DeterminantRef::ratio                    0.1514     0.1514          30720       0.000004929
      DeterminantRef::spovgl                  11.1710     0.6219          30720       0.000363639
        Single-Particle Orbitals              10.5491    10.5491          30720       0.000343395
      OneBodyJastrowRef                        0.1581     0.1581          30720       0.000005147
      TwoBodyJastrowRef                        1.0063     1.0063          30720       0.000032757
    ParticleSet:::acceptMove                   3.1552     0.0168          15371       0.000205268
      DTAAOMPTarget::update_e_e                3.0964     3.0964          15371       0.000201446
      DTABOMPTarget::update_ion_e              0.0419     0.0419          15371       0.000002728
    ParticleSet:::computeNewPosDT              4.7694     0.0218          30720       0.000155253
      DTAAOMPTarget::move_e_e                  4.2885     4.2885          30720       0.000139599
      DTABOMPTarget::move_ion_e                0.4591     0.4591          30720       0.000014944
    ParticleSet:::donePbyP                     0.0000     0.0000              5       0.000008372
    Update                                    90.4586     0.0261          15371       0.005885015
      DeterminantRef::update                  89.1591    89.1591          15371       0.005800472
      OneBodyJastrowRef                        0.0039     0.0039          15371       0.000000253
      TwoBodyJastrowRef                        1.2695     1.2695          15371       0.000082593
  Initialization                              11.7997     2.5655              1      11.799669710
    DeterminantRef::inverse                    5.5252     5.5252              2       2.762606972
    DeterminantRef::spovgl                     3.2141     0.1967              2       1.607051701
      Single-Particle Orbitals                 3.0174     3.0174           6144       0.000491116
    OneBodyJastrowRef                          0.0097     0.0097              1       0.009748986
    ParticleSet:::update                       0.4013     0.1158              2       0.200663472
      DTAAOMPTarget::evaluate_e_e              0.2066     0.2066              1       0.206568302
      DTABOMPTarget::evaluate_ion_e            0.0790     0.0074              1       0.078986794
        DTABOMPTarget::offload_ion_e           0.0716     0.0716              1       0.071612949
    TwoBodyJastrowRef                          0.0838     0.0838              1       0.083817858
  Pseudopotential                             66.2178     0.3158              5      13.243555074
    DeterminantRef::spoval                    48.8655     1.8012          10215       0.004783700
      Single-Particle Orbitals                47.0643    47.0643         122580       0.000383948
    OneBodyJastrowRef                          0.1842     0.1842          10215       0.000018036
    ParticleSet:::update                      14.6531     0.0651          10215       0.001434466
      DTABOMPTarget::evaluate_e_virtual       13.1250     0.0278          10215       0.001284873
        DTABOMPTarget::offload_e_virtual      13.0972    13.0972          10215       0.001282155
      DTABOMPTarget::evaluate_ion_virtual      1.4630     0.0295          10215       0.000143225
        DTABOMPTarget::offload_ion_virtual     1.4336     1.4336          10215       0.000140338
    TwoBodyJastrowRef                          2.1991     2.1991          10215       0.000215286

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

Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.12732e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.84202e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.09453e+08


* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 426722)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 426722) 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 426723)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 426723) 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'
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/icx_5/oneview_results_1708580494/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/icx_5/oneview_results_1708580494/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/icx_5/oneview_results_1708580494/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/icx_5/oneview_results_1708580494/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/icx_5/oneview_results_1708580494/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/icx_5/oneview_results_1708580494/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/icx_5/oneview_results_1708580494/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/icx_5/oneview_results_1708580494/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/icx_5/oneview_results_1708580494/tools/lprof_npsu_run_0  #
###################################################################################################################################################################################################################

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