* Info: Selecting the 'perf-high-ppn' engine for node gmz16.benchmarkcenter.megware.com
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 427904)
* 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 427910)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 = 1
Number of walkers per rank = 1
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 0.1539 0.1539 1 0.153879936
ParticleSet:::update 0.0000 0.0000 1 0.000000600
Total 44.1944 0.0005 1 44.194439011
Diffusion 28.1123 0.0152 5 5.622450807
Complete Updates 0.2095 0.0000 5 0.041909876
DeterminantRef::update 0.2095 0.2095 10 0.020953059
Current Gradient 0.5202 0.0093 30720 0.000016933
DeterminantRef::ratio 0.5066 0.5066 30720 0.000016491
OneBodyJastrowRef 0.0024 0.0024 30720 0.000000077
TwoBodyJastrowRef 0.0019 0.0019 30720 0.000000062
Kinetic Energy 0.1243 0.1240 5 0.024859148
OneBodyJastrowRef 0.0002 0.0002 5 0.000034010
TwoBodyJastrowRef 0.0001 0.0001 5 0.000020132
New Gradient 8.5072 0.0142 30720 0.000276926
DeterminantRef::ratio 0.0593 0.0593 30720 0.000001929
DeterminantRef::spovgl 8.0814 0.1515 30720 0.000263066
Single-Particle Orbitals 7.9299 7.9299 30720 0.000258134
OneBodyJastrowRef 0.0293 0.0293 30720 0.000000955
TwoBodyJastrowRef 0.3229 0.3229 30720 0.000010512
ParticleSet:::acceptMove 0.4119 0.0045 15371 0.000026798
DTAAOMPTarget::update_e_e 0.3991 0.3991 15371 0.000025962
DTABOMPTarget::update_ion_e 0.0084 0.0084 15371 0.000000545
ParticleSet:::computeNewPosDT 0.4630 0.0065 30720 0.000015071
DTAAOMPTarget::move_e_e 0.4101 0.4101 30720 0.000013351
DTABOMPTarget::move_ion_e 0.0463 0.0463 30720 0.000001507
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000000840
Update 17.8609 0.0069 15371 0.001161988
DeterminantRef::update 17.4969 17.4969 15371 0.001138309
OneBodyJastrowRef 0.0013 0.0013 15371 0.000000084
TwoBodyJastrowRef 0.3558 0.3558 15371 0.000023148
Initialization 5.5327 0.1665 1 5.532735955
DeterminantRef::inverse 3.6126 3.6126 2 1.806282217
DeterminantRef::spovgl 1.6134 0.0323 2 0.806712291
Single-Particle Orbitals 1.5812 1.5812 6144 0.000257350
OneBodyJastrowRef 0.0061 0.0061 1 0.006081354
ParticleSet:::update 0.0757 0.0090 2 0.037857568
DTAAOMPTarget::evaluate_e_e 0.0459 0.0459 1 0.045868044
DTABOMPTarget::evaluate_ion_e 0.0208 0.0001 1 0.020798665
DTABOMPTarget::offload_ion_e 0.0207 0.0207 1 0.020735216
TwoBodyJastrowRef 0.0585 0.0585 1 0.058477728
Pseudopotential 10.5490 0.0297 5 2.109799748
DeterminantRef::spoval 4.5018 0.1545 10215 0.000440704
Single-Particle Orbitals 4.3473 4.3473 122580 0.000035465
OneBodyJastrowRef 0.0121 0.0121 10215 0.000001180
ParticleSet:::update 5.5032 0.0057 10215 0.000538736
DTABOMPTarget::evaluate_e_virtual 5.1042 0.0015 10215 0.000499679
DTABOMPTarget::offload_e_virtual 5.1027 5.1027 10215 0.000499533
DTABOMPTarget::evaluate_ion_virtual 0.3933 0.0013 10215 0.000038503
DTABOMPTarget::offload_ion_virtual 0.3920 0.3920 10215 0.000038378
TwoBodyJastrowRef 0.5022 0.5022 10215 0.000049166
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 1.04958e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.65002e+10
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 7.15684e+06
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 427904)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 427904) Observed more threads (2) than expected (1): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=2.
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 427910)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 427910) Observed more threads (2) than expected (1): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=2.
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/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/gcc_2/oneview_results_scal/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/gcc_2/oneview_results_scal/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/gcc_2/oneview_results_scal/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/gcc_2/oneview_results_scal/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/gcc_2/oneview_results_scal/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/gcc_2/oneview_results_scal/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/gcc_2/oneview_results_scal/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/gcc_2/oneview_results_scal/tools/lprof_npsu_run_0 #
#############################################################################################################################################################################################################
* Info: Selecting the 'perf-high-ppn' engine for node gmz16.benchmarkcenter.megware.com
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 427991)
* 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 427997)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 = 2
Number of walkers per rank = 2
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 0.0932 0.0932 1 0.093192200
ParticleSet:::update 0.0000 0.0000 1 0.000000670
Total 45.3324 0.0008 1 45.332416551
Diffusion 29.2509 0.0163 5 5.850189275
Complete Updates 0.2156 0.0000 5 0.043122236
DeterminantRef::update 0.2156 0.2156 10 0.021558252
Current Gradient 0.5519 0.0105 30720 0.000017967
DeterminantRef::ratio 0.5364 0.5364 30720 0.000017460
OneBodyJastrowRef 0.0030 0.0030 30720 0.000000097
TwoBodyJastrowRef 0.0021 0.0021 30720 0.000000068
Kinetic Energy 0.1403 0.1399 5 0.028067911
OneBodyJastrowRef 0.0003 0.0003 5 0.000052304
TwoBodyJastrowRef 0.0002 0.0002 5 0.000031312
New Gradient 9.3212 0.0160 30720 0.000303425
DeterminantRef::ratio 0.0606 0.0606 30720 0.000001972
DeterminantRef::spovgl 8.8931 0.1287 30720 0.000289489
Single-Particle Orbitals 8.7644 8.7644 30720 0.000285300
OneBodyJastrowRef 0.0282 0.0282 30720 0.000000916
TwoBodyJastrowRef 0.3234 0.3234 30720 0.000010527
ParticleSet:::acceptMove 0.4581 0.0051 15371 0.000029805
DTAAOMPTarget::update_e_e 0.4445 0.4445 15371 0.000028919
DTABOMPTarget::update_ion_e 0.0086 0.0086 15371 0.000000557
ParticleSet:::computeNewPosDT 0.4936 0.0065 30720 0.000016069
DTAAOMPTarget::move_e_e 0.4326 0.4326 30720 0.000014083
DTABOMPTarget::move_ion_e 0.0545 0.0545 30720 0.000001775
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001498
Update 18.0537 0.0084 15371 0.001174531
DeterminantRef::update 17.6865 17.6865 15371 0.001150640
OneBodyJastrowRef 0.0019 0.0019 15371 0.000000124
TwoBodyJastrowRef 0.3569 0.3569 15371 0.000023219
Initialization 5.5475 0.1867 1 5.547523148
DeterminantRef::inverse 3.3053 3.3053 2 1.652650005
DeterminantRef::spovgl 1.9160 0.0323 2 0.957990223
Single-Particle Orbitals 1.8837 1.8837 6144 0.000306591
OneBodyJastrowRef 0.0054 0.0054 1 0.005407871
ParticleSet:::update 0.0771 0.0102 2 0.038572295
DTAAOMPTarget::evaluate_e_e 0.0460 0.0460 1 0.045957059
DTABOMPTarget::evaluate_ion_e 0.0210 0.0001 1 0.020960168
DTABOMPTarget::offload_ion_e 0.0209 0.0209 1 0.020885308
TwoBodyJastrowRef 0.0570 0.0570 1 0.057030822
Pseudopotential 10.5331 0.0343 5 2.106624691
DeterminantRef::spoval 4.9184 0.1550 10215 0.000481492
Single-Particle Orbitals 4.7634 4.7634 122580 0.000038860
OneBodyJastrowRef 0.0127 0.0127 10215 0.000001248
ParticleSet:::update 5.0621 0.0061 10215 0.000495560
DTABOMPTarget::evaluate_e_virtual 4.6568 0.0017 10215 0.000455883
DTABOMPTarget::offload_e_virtual 4.6552 4.6552 10215 0.000455720
DTABOMPTarget::evaluate_ion_virtual 0.3992 0.0015 10215 0.000039080
DTABOMPTarget::offload_ion_virtual 0.3977 0.3977 10215 0.000038936
TwoBodyJastrowRef 0.5055 0.5055 10215 0.000049483
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 2.04647e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 3.17157e+10
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 1.43352e+07
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 427997)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 427997) Observed more threads (3) than expected (2): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=3.
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 427991)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 427991) Observed more threads (3) than expected (2): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=3.
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1
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/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_1 #
#############################################################################################################################################################################################################
* Info: Selecting the 'perf-high-ppn' engine for node gmz16.benchmarkcenter.megware.com
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 428076)
* 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 428081)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 = 4
Number of walkers per rank = 4
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 0.0729 0.0729 1 0.072860250
ParticleSet:::update 0.0000 0.0000 1 0.000000770
Total 47.2188 0.2516 1 47.218836540
Diffusion 29.3640 0.0159 5 5.872802993
Complete Updates 0.2164 0.0000 5 0.043278904
DeterminantRef::update 0.2164 0.2164 10 0.021636227
Current Gradient 0.5474 0.0131 30720 0.000017819
DeterminantRef::ratio 0.5298 0.5298 30720 0.000017246
OneBodyJastrowRef 0.0024 0.0024 30720 0.000000079
TwoBodyJastrowRef 0.0020 0.0020 30720 0.000000066
Kinetic Energy 0.1307 0.1304 5 0.026137815
OneBodyJastrowRef 0.0002 0.0002 5 0.000030606
TwoBodyJastrowRef 0.0001 0.0001 5 0.000022704
New Gradient 9.4851 0.0186 30720 0.000308758
DeterminantRef::ratio 0.0606 0.0606 30720 0.000001972
DeterminantRef::spovgl 9.0520 0.1690 30720 0.000294660
Single-Particle Orbitals 8.8830 8.8830 30720 0.000289160
OneBodyJastrowRef 0.0282 0.0282 30720 0.000000918
TwoBodyJastrowRef 0.3256 0.3256 30720 0.000010600
ParticleSet:::acceptMove 0.4201 0.0047 15371 0.000027334
DTAAOMPTarget::update_e_e 0.4066 0.4066 15371 0.000026456
DTABOMPTarget::update_ion_e 0.0088 0.0088 15371 0.000000574
ParticleSet:::computeNewPosDT 0.4721 0.0065 30720 0.000015369
DTAAOMPTarget::move_e_e 0.4159 0.4159 30720 0.000013540
DTABOMPTarget::move_ion_e 0.0497 0.0497 30720 0.000001617
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000000998
Update 18.0763 0.0090 15371 0.001175998
DeterminantRef::update 17.7033 17.7033 15371 0.001151732
OneBodyJastrowRef 0.0016 0.0016 15371 0.000000105
TwoBodyJastrowRef 0.3624 0.3624 15371 0.000023574
Initialization 5.9434 0.5121 1 5.943419798
DeterminantRef::inverse 3.4373 3.4373 2 1.718627674
DeterminantRef::spovgl 1.8444 0.0917 2 0.922202773
Single-Particle Orbitals 1.7527 1.7527 6144 0.000285271
OneBodyJastrowRef 0.0054 0.0054 1 0.005365453
ParticleSet:::update 0.0873 0.0169 2 0.043626700
DTAAOMPTarget::evaluate_e_e 0.0484 0.0484 1 0.048425943
DTABOMPTarget::evaluate_ion_e 0.0219 0.0002 1 0.021882700
DTABOMPTarget::offload_ion_e 0.0217 0.0217 1 0.021650820
TwoBodyJastrowRef 0.0571 0.0571 1 0.057072471
Pseudopotential 11.6598 0.0317 5 2.331950812
DeterminantRef::spoval 6.0258 0.1554 10215 0.000589892
Single-Particle Orbitals 5.8704 5.8704 122580 0.000047890
OneBodyJastrowRef 0.0119 0.0119 10215 0.000001168
ParticleSet:::update 5.0868 0.0055 10215 0.000497978
DTABOMPTarget::evaluate_e_virtual 4.6841 0.0017 10215 0.000458555
DTABOMPTarget::offload_e_virtual 4.6824 4.6824 10215 0.000458384
DTABOMPTarget::evaluate_ion_virtual 0.3972 0.0017 10215 0.000038887
DTABOMPTarget::offload_ion_virtual 0.3955 0.3955 10215 0.000038721
TwoBodyJastrowRef 0.5035 0.5035 10215 0.000049293
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 3.92942e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 6.31871e+10
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 2.59002e+07
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428076)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428076) Observed more threads (5) than expected (4): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=5.
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428081)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428081) Observed more threads (5) than expected (4): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=5.
Info: 1/2 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2
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/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_2 #
#############################################################################################################################################################################################################
* Info: Selecting the 'perf-high-ppn' engine for node gmz16.benchmarkcenter.megware.com
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 428166)
* 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 428172)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 = 8
Number of walkers per rank = 8
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 0.0727 0.0727 1 0.072737243
ParticleSet:::update 0.0000 0.0000 1 0.000000610
Total 59.9658 10.1932 1 59.965762090
Diffusion 30.1196 0.0176 5 6.023920695
Complete Updates 0.2120 0.0000 5 0.042400275
DeterminantRef::update 0.2120 0.2120 10 0.021197671
Current Gradient 0.5677 0.0171 30720 0.000018479
DeterminantRef::ratio 0.5460 0.5460 30720 0.000017774
OneBodyJastrowRef 0.0023 0.0023 30720 0.000000075
TwoBodyJastrowRef 0.0023 0.0023 30720 0.000000075
Kinetic Energy 0.1291 0.1288 5 0.025817759
OneBodyJastrowRef 0.0002 0.0002 5 0.000044606
TwoBodyJastrowRef 0.0001 0.0001 5 0.000022386
New Gradient 10.2466 0.0239 30720 0.000333547
DeterminantRef::ratio 0.0616 0.0616 30720 0.000002004
DeterminantRef::spovgl 9.8078 0.1590 30720 0.000319264
Single-Particle Orbitals 9.6488 9.6488 30720 0.000314089
OneBodyJastrowRef 0.0294 0.0294 30720 0.000000958
TwoBodyJastrowRef 0.3239 0.3239 30720 0.000010543
ParticleSet:::acceptMove 0.4200 0.0050 15371 0.000027324
DTAAOMPTarget::update_e_e 0.4060 0.4060 15371 0.000026412
DTABOMPTarget::update_ion_e 0.0090 0.0090 15371 0.000000586
ParticleSet:::computeNewPosDT 0.5362 0.0069 30720 0.000017455
DTAAOMPTarget::move_e_e 0.4797 0.4797 30720 0.000015615
DTABOMPTarget::move_ion_e 0.0497 0.0497 30720 0.000001617
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001412
Update 17.9904 0.0118 15371 0.001170413
DeterminantRef::update 17.6165 17.6165 15371 0.001146089
OneBodyJastrowRef 0.0017 0.0017 15371 0.000000110
TwoBodyJastrowRef 0.3604 0.3604 15371 0.000023445
Initialization 6.6083 1.1390 1 6.608300862
DeterminantRef::inverse 3.4838 3.4838 2 1.741918020
DeterminantRef::spovgl 1.7775 0.0550 2 0.888763938
Single-Particle Orbitals 1.7225 1.7225 6144 0.000280360
OneBodyJastrowRef 0.0116 0.0116 1 0.011571092
ParticleSet:::update 0.0993 0.0215 2 0.049629192
DTAAOMPTarget::evaluate_e_e 0.0532 0.0532 1 0.053167391
DTABOMPTarget::evaluate_ion_e 0.0246 0.0005 1 0.024586464
DTABOMPTarget::offload_ion_e 0.0241 0.0241 1 0.024103844
TwoBodyJastrowRef 0.0971 0.0971 1 0.097143047
Pseudopotential 13.0446 0.0320 5 2.608924571
DeterminantRef::spoval 7.3204 0.1563 10215 0.000716630
Single-Particle Orbitals 7.1641 7.1641 122580 0.000058444
OneBodyJastrowRef 0.0132 0.0132 10215 0.000001291
ParticleSet:::update 5.1717 0.0061 10215 0.000506281
DTABOMPTarget::evaluate_e_virtual 4.7705 0.0021 10215 0.000467011
DTABOMPTarget::offload_e_virtual 4.7684 4.7684 10215 0.000466806
DTABOMPTarget::evaluate_ion_virtual 0.3950 0.0017 10215 0.000038670
DTABOMPTarget::offload_ion_virtual 0.3933 0.3933 10215 0.000038506
TwoBodyJastrowRef 0.5074 0.5074 10215 0.000049674
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 6.18828e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.23204e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 4.63011e+07
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428172)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428172) Observed more threads (9) than expected (8): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=9.
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428166)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428166) Observed more threads (9) than expected (8): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=9.
Info: 1/2 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3
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/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_3 #
#############################################################################################################################################################################################################
* Info: Selecting the 'perf-high-ppn' engine for node gmz16.benchmarkcenter.megware.com
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 428271)
* 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 428276)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 = 16
Number of walkers per rank = 16
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 0.0683 0.0683 1 0.068331715
ParticleSet:::update 0.0000 0.0000 1 0.000000730
Total 78.3080 10.1141 1 78.308023715
Diffusion 43.0767 0.0212 5 8.615332621
Complete Updates 0.4153 0.0001 5 0.083064574
DeterminantRef::update 0.4153 0.4153 10 0.041526913
Current Gradient 0.6887 0.0200 30720 0.000022418
DeterminantRef::ratio 0.6632 0.6632 30720 0.000021587
OneBodyJastrowRef 0.0032 0.0032 30720 0.000000104
TwoBodyJastrowRef 0.0023 0.0023 30720 0.000000076
Kinetic Energy 0.2504 0.2499 5 0.050089287
OneBodyJastrowRef 0.0004 0.0004 5 0.000078264
TwoBodyJastrowRef 0.0002 0.0002 5 0.000034388
New Gradient 7.7515 0.0224 30720 0.000252327
DeterminantRef::ratio 0.0624 0.0624 30720 0.000002031
DeterminantRef::spovgl 7.2722 0.1788 30720 0.000236724
Single-Particle Orbitals 7.0934 7.0934 30720 0.000230905
OneBodyJastrowRef 0.0361 0.0361 30720 0.000001175
TwoBodyJastrowRef 0.3584 0.3584 30720 0.000011667
ParticleSet:::acceptMove 0.9229 0.0067 15371 0.000060040
DTAAOMPTarget::update_e_e 0.9029 0.9029 15371 0.000058743
DTABOMPTarget::update_ion_e 0.0132 0.0132 15371 0.000000861
ParticleSet:::computeNewPosDT 0.6897 0.0106 30720 0.000022450
DTAAOMPTarget::move_e_e 0.6109 0.6109 30720 0.000019885
DTABOMPTarget::move_ion_e 0.0682 0.0682 30720 0.000002220
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001610
Update 32.3370 0.0138 15371 0.002103769
DeterminantRef::update 31.8649 31.8649 15371 0.002073053
OneBodyJastrowRef 0.0022 0.0022 15371 0.000000140
TwoBodyJastrowRef 0.4561 0.4561 15371 0.000029675
Initialization 6.7435 1.3240 1 6.743535322
DeterminantRef::inverse 3.6552 3.6552 2 1.827589350
DeterminantRef::spovgl 1.5557 0.0735 2 0.777872599
Single-Particle Orbitals 1.4822 1.4822 6144 0.000241245
OneBodyJastrowRef 0.0063 0.0063 1 0.006293385
ParticleSet:::update 0.1342 0.0367 2 0.067079837
DTAAOMPTarget::evaluate_e_e 0.0717 0.0717 1 0.071660800
DTABOMPTarget::evaluate_ion_e 0.0258 0.0014 1 0.025767050
DTABOMPTarget::offload_ion_e 0.0244 0.0244 1 0.024412522
TwoBodyJastrowRef 0.0681 0.0681 1 0.068113701
Pseudopotential 18.3737 0.0811 5 3.674743950
DeterminantRef::spoval 12.1041 0.2223 10215 0.001184932
Single-Particle Orbitals 11.8817 11.8817 122580 0.000096930
OneBodyJastrowRef 0.0339 0.0339 10215 0.000003316
ParticleSet:::update 5.4171 0.0146 10215 0.000530305
DTABOMPTarget::evaluate_e_virtual 4.9129 0.0060 10215 0.000480945
DTABOMPTarget::offload_e_virtual 4.9069 4.9069 10215 0.000480362
DTABOMPTarget::evaluate_ion_virtual 0.4896 0.0050 10215 0.000047928
DTABOMPTarget::offload_ion_virtual 0.4846 0.4846 10215 0.000047438
TwoBodyJastrowRef 0.7376 0.7376 10215 0.000072203
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 9.47758e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.72291e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 6.57439e+07
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428271)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428271) Observed more threads (17) than expected (16): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=17.
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428276)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428276) Observed more threads (17) than expected (16): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=17.
Info: 1/2 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4
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/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_4 #
#############################################################################################################################################################################################################
* Info: Selecting the 'perf-high-ppn' engine for node gmz16.benchmarkcenter.megware.com
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 428410)
* 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 428415)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 = 32
Number of walkers per rank = 32
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 0.0901 0.0901 1 0.090135290
ParticleSet:::update 0.0000 0.0000 1 0.000000600
Total 161.4344 7.9699 1 161.434386962
Diffusion 104.7074 0.0378 5 20.941472588
Complete Updates 1.1851 0.0001 5 0.237025288
DeterminantRef::update 1.1851 1.1851 10 0.118505836
Current Gradient 1.5018 0.0314 30720 0.000048886
DeterminantRef::ratio 1.4601 1.4601 30720 0.000047531
OneBodyJastrowRef 0.0065 0.0065 30720 0.000000212
TwoBodyJastrowRef 0.0037 0.0037 30720 0.000000120
Kinetic Energy 0.6877 0.6868 5 0.137537394
OneBodyJastrowRef 0.0005 0.0005 5 0.000101366
TwoBodyJastrowRef 0.0004 0.0004 5 0.000076246
New Gradient 13.6546 0.0323 30720 0.000444487
DeterminantRef::ratio 0.0848 0.0848 30720 0.000002761
DeterminantRef::spovgl 12.8273 0.3729 30720 0.000417556
Single-Particle Orbitals 12.4544 12.4544 30720 0.000405418
OneBodyJastrowRef 0.0832 0.0832 30720 0.000002709
TwoBodyJastrowRef 0.6270 0.6270 30720 0.000020411
ParticleSet:::acceptMove 2.5366 0.0142 15371 0.000165027
DTAAOMPTarget::update_e_e 2.4868 2.4868 15371 0.000161788
DTABOMPTarget::update_ion_e 0.0356 0.0356 15371 0.000002315
ParticleSet:::computeNewPosDT 0.9091 0.0161 30720 0.000029592
DTAAOMPTarget::move_e_e 0.7359 0.7359 30720 0.000023955
DTABOMPTarget::move_ion_e 0.1570 0.1570 30720 0.000005112
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000003136
Update 84.1946 0.0221 15371 0.005477497
DeterminantRef::update 83.0946 83.0946 15371 0.005405932
OneBodyJastrowRef 0.0036 0.0036 15371 0.000000232
TwoBodyJastrowRef 1.0743 1.0743 15371 0.000069893
Initialization 11.3569 3.7714 1 11.356882161
DeterminantRef::inverse 4.6234 4.6234 2 2.311679008
DeterminantRef::spovgl 2.4286 0.1364 2 1.214307350
Single-Particle Orbitals 2.2922 2.2922 6144 0.000373086
OneBodyJastrowRef 0.0094 0.0094 1 0.009384583
ParticleSet:::update 0.4510 0.0786 2 0.225494150
DTAAOMPTarget::evaluate_e_e 0.3038 0.3038 1 0.303752375
DTABOMPTarget::evaluate_ion_e 0.0687 0.0013 1 0.068651702
DTABOMPTarget::offload_ion_e 0.0674 0.0674 1 0.067360096
TwoBodyJastrowRef 0.0731 0.0731 1 0.073093469
Pseudopotential 37.4003 0.1956 5 7.480054585
DeterminantRef::spoval 29.0178 1.0156 10215 0.002840702
Single-Particle Orbitals 28.0022 28.0022 122580 0.000228440
OneBodyJastrowRef 0.1161 0.1161 10215 0.000011361
ParticleSet:::update 6.6883 0.0472 10215 0.000654755
DTABOMPTarget::evaluate_e_virtual 5.9229 0.0172 10215 0.000579822
DTABOMPTarget::offload_e_virtual 5.9057 5.9057 10215 0.000578137
DTABOMPTarget::evaluate_ion_virtual 0.7182 0.0107 10215 0.000070310
DTABOMPTarget::offload_ion_virtual 0.7075 0.7075 10215 0.000069264
TwoBodyJastrowRef 1.3825 1.3825 10215 0.000135339
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 9.1947e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.41761e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 6.45963e+07
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428410)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428410) Observed more threads (33) than expected (32): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=33.
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428415)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428415) Observed more threads (33) than expected (32): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=33.
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5
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/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_5 #
#############################################################################################################################################################################################################
* Info: Selecting the 'perf-high-ppn' engine for node gmz16.benchmarkcenter.megware.com
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 428632)
* 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 428637)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 = 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 0.1183 0.1183 1 0.118265681
ParticleSet:::update 0.0000 0.0000 1 0.000000620
Total 308.8065 9.9103 1 308.806471014
Diffusion 230.4557 0.0920 5 46.091140708
Complete Updates 2.2373 0.0001 5 0.447450338
DeterminantRef::update 2.2372 2.2372 10 0.223717451
Current Gradient 4.5459 0.0670 30720 0.000147977
DeterminantRef::ratio 4.4494 4.4494 30720 0.000144838
OneBodyJastrowRef 0.0175 0.0175 30720 0.000000571
TwoBodyJastrowRef 0.0119 0.0119 30720 0.000000387
Kinetic Energy 1.3675 1.3650 5 0.273497168
OneBodyJastrowRef 0.0011 0.0011 5 0.000219588
TwoBodyJastrowRef 0.0014 0.0014 5 0.000283938
New Gradient 35.7609 0.0844 30720 0.001164092
DeterminantRef::ratio 0.1990 0.1990 30720 0.000006479
DeterminantRef::spovgl 33.7095 0.9786 30720 0.001097314
Single-Particle Orbitals 32.7309 32.7309 30720 0.001065460
OneBodyJastrowRef 0.2238 0.2238 30720 0.000007285
TwoBodyJastrowRef 1.5442 1.5442 30720 0.000050268
ParticleSet:::acceptMove 6.1732 0.0393 15371 0.000401614
DTAAOMPTarget::update_e_e 6.0288 6.0288 15371 0.000392217
DTABOMPTarget::update_ion_e 0.1052 0.1052 15371 0.000006843
ParticleSet:::computeNewPosDT 2.3949 0.0401 30720 0.000077958
DTAAOMPTarget::move_e_e 2.0214 2.0214 30720 0.000065801
DTABOMPTarget::move_ion_e 0.3333 0.3333 30720 0.000010850
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000003698
Update 177.8841 0.0512 15371 0.011572708
DeterminantRef::update 174.8419 174.8419 15371 0.011374788
OneBodyJastrowRef 0.0089 0.0089 15371 0.000000578
TwoBodyJastrowRef 2.9822 2.9822 15371 0.000194014
Initialization 13.9975 5.4318 1 13.997454204
DeterminantRef::inverse 5.2853 5.2853 2 2.642637796
DeterminantRef::spovgl 2.8926 0.1720 2 1.446307291
Single-Particle Orbitals 2.7206 2.7206 6144 0.000442802
OneBodyJastrowRef 0.0103 0.0103 1 0.010285408
ParticleSet:::update 0.2914 0.1445 2 0.145713219
DTAAOMPTarget::evaluate_e_e 0.1087 0.1087 1 0.108674671
DTABOMPTarget::evaluate_ion_e 0.0382 0.0105 1 0.038229359
DTABOMPTarget::offload_ion_e 0.0277 0.0277 1 0.027702030
TwoBodyJastrowRef 0.0860 0.0860 1 0.086023338
Pseudopotential 54.4430 0.3121 5 10.888602953
DeterminantRef::spoval 39.1911 1.3605 10215 0.003836627
Single-Particle Orbitals 37.8306 37.8306 122580 0.000308620
OneBodyJastrowRef 0.1673 0.1673 10215 0.000016382
ParticleSet:::update 11.8286 0.0624 10215 0.001157965
DTABOMPTarget::evaluate_e_virtual 10.8066 0.0220 10215 0.001057912
DTABOMPTarget::offload_e_virtual 10.7846 10.7846 10215 0.001055759
DTABOMPTarget::evaluate_ion_virtual 0.9596 0.0187 10215 0.000093943
DTABOMPTarget::offload_ion_virtual 0.9410 0.9410 10215 0.000092117
TwoBodyJastrowRef 2.9438 2.9438 10215 0.000288185
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 9.6134e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.28818e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 8.87504e+07
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428637)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428637) Observed more threads (65) than expected (64): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=65.
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428632)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428632) Observed more threads (65) than expected (64): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=65.
Info: 1/2 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6
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/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_6 #
#############################################################################################################################################################################################################
* Info: Selecting the 'perf-high-ppn' engine for node gmz16.benchmarkcenter.megware.com
* Info: Process launched (host gmz16.benchmarkcenter.megware.com, process 428978)
* 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 428983)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 0.1427 0.1427 1 0.142704038
ParticleSet:::update 0.0000 0.0000 1 0.000000820
Total 409.3073 28.8908 1 409.307269726
Diffusion 236.3913 0.1190 5 47.278267687
Complete Updates 4.5962 0.0005 5 0.919249414
DeterminantRef::update 4.5958 4.5958 10 0.459578457
Current Gradient 5.2403 0.0934 30720 0.000170583
DeterminantRef::ratio 5.1047 5.1047 30720 0.000166168
OneBodyJastrowRef 0.0248 0.0248 30720 0.000000806
TwoBodyJastrowRef 0.0175 0.0175 30720 0.000000569
Kinetic Energy 1.8253 1.8216 5 0.365055197
OneBodyJastrowRef 0.0016 0.0016 5 0.000320434
TwoBodyJastrowRef 0.0021 0.0021 5 0.000419802
New Gradient 36.8517 0.1119 30720 0.001199599
DeterminantRef::ratio 0.2068 0.2068 30720 0.000006732
DeterminantRef::spovgl 34.4192 1.1014 30720 0.001120418
Single-Particle Orbitals 33.3178 33.3178 30720 0.001084565
OneBodyJastrowRef 0.3037 0.3037 30720 0.000009885
TwoBodyJastrowRef 1.8100 1.8100 30720 0.000058920
ParticleSet:::acceptMove 7.3494 0.0487 15371 0.000478137
DTAAOMPTarget::update_e_e 7.1844 7.1844 15371 0.000467400
DTABOMPTarget::update_ion_e 0.1164 0.1164 15371 0.000007571
ParticleSet:::computeNewPosDT 2.8898 0.0452 30720 0.000094069
DTAAOMPTarget::move_e_e 2.4611 2.4611 30720 0.000080112
DTABOMPTarget::move_ion_e 0.3836 0.3836 30720 0.000012486
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000004308
Update 177.5196 0.0622 15371 0.011548995
DeterminantRef::update 174.5018 174.5018 15371 0.011352663
OneBodyJastrowRef 0.0110 0.0110 15371 0.000000717
TwoBodyJastrowRef 2.9446 2.9446 15371 0.000191566
Initialization 21.9214 4.7131 1 21.921394696
DeterminantRef::inverse 8.8391 8.8391 2 4.419573717
DeterminantRef::spovgl 7.5973 0.1955 2 3.798665412
Single-Particle Orbitals 7.4018 7.4018 6144 0.001204728
OneBodyJastrowRef 0.0135 0.0135 1 0.013529067
ParticleSet:::update 0.6491 0.4801 2 0.324569852
DTAAOMPTarget::evaluate_e_e 0.0960 0.0960 1 0.096033368
DTABOMPTarget::evaluate_ion_e 0.0730 0.0036 1 0.072991134
DTABOMPTarget::offload_ion_e 0.0694 0.0694 1 0.069394244
TwoBodyJastrowRef 0.1091 0.1091 1 0.109118145
Pseudopotential 122.1037 0.8050 5 24.420745333
DeterminantRef::spoval 70.5131 3.4577 10215 0.006902895
Single-Particle Orbitals 67.0553 67.0553 122580 0.000547033
OneBodyJastrowRef 0.3805 0.3805 10215 0.000037249
ParticleSet:::update 43.6732 0.1527 10215 0.004275400
DTABOMPTarget::evaluate_e_virtual 40.4063 0.0675 10215 0.003955590
DTABOMPTarget::offload_e_virtual 40.3388 40.3388 10215 0.003948978
DTABOMPTarget::evaluate_ion_virtual 3.1141 0.0464 10215 0.000304859
DTABOMPTarget::offload_ion_virtual 3.0677 3.0677 10215 0.000300313
TwoBodyJastrowRef 6.7319 6.7319 10215 0.000659023
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 1.08794e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.88375e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 5.93574e+07
* Info: Process finished (host gmz16.benchmarkcenter.megware.com, process 428978)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428978) 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 428983)
* Warning: (host gmz16.benchmarkcenter.megware.com, process 428983) Observed more threads (97) than expected (96): in case of high IO overhead or suspicious profile, rerun with maximum-threads-per-process=97.
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7
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/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/run/oneview_runs/compilers/gcc_2/oneview_results_scal/tools/lprof_npsu_run_7 #
#############################################################################################################################################################################################################
