* Info: Selecting the 'perf-low-ppn' engine for node turpancomp0
[0m
* Info: "ref-cycles" not supported on turpancomp0: fallback to "cpu-clock"[0m
* Info: Process launched (host turpancomp0, process 669942)[0mminiqmc not built from git repository
number of ranks : 1, number of accelerators : 0
Number of orbitals/splines = 1536
Tile size = 1536
Number of tiles = 1
Number of electrons = 3072
Rmax = 1.7
AcceptanceRatio = 0.5
Iterations = 5
MPI processes = 1
OpenMP threads = 80
Number of walkers per rank = 80
SPO coefficients size = 786432000 bytes (750 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 0.0208 0.0208 1 0.020803423
ParticleSet:::update 0.0000 0.0000 1 0.000001320
Total 56.2084 0.4719 1 56.208362243
Diffusion 32.9954 0.0630 5 6.599082035
Complete Updates 0.5041 0.0001 5 0.100810863
DeterminantRef::update 0.5040 0.5040 10 0.050398384
Current Gradient 2.9816 0.0482 15360 0.000194117
DeterminantRef::ratio 2.9081 2.9081 15360 0.000189332
OneBodyJastrowRef 0.0140 0.0140 15360 0.000000911
TwoBodyJastrowRef 0.0113 0.0113 15360 0.000000735
Kinetic Energy 0.4406 0.4398 5 0.088114376
OneBodyJastrowRef 0.0004 0.0004 5 0.000085761
TwoBodyJastrowRef 0.0003 0.0003 5 0.000062001
New Gradient 8.7549 0.0675 15360 0.000569982
DeterminantRef::ratio 0.0805 0.0805 15360 0.000005243
DeterminantRef::spovgl 7.5293 0.4668 15360 0.000490189
Single-Particle Orbitals 7.0625 7.0625 15360 0.000459796
OneBodyJastrowRef 0.1708 0.1708 15360 0.000011122
TwoBodyJastrowRef 0.9068 0.9068 15360 0.000059034
ParticleSet:::acceptMove 4.1078 0.0334 7611 0.000539725
DTAAOMPTarget::update_e_e 4.0174 4.0174 7611 0.000527842
DTABOMPTarget::update_ion_e 0.0571 0.0571 7611 0.000007499
ParticleSet:::computeNewPosDT 1.3380 0.0323 15360 0.000087109
DTAAOMPTarget::move_e_e 1.1415 1.1415 15360 0.000074319
DTABOMPTarget::move_ion_e 0.1641 0.1641 15360 0.000010685
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000002384
Update 14.8054 0.0273 7611 0.001945260
DeterminantRef::update 13.4643 13.4643 7611 0.001769057
OneBodyJastrowRef 0.0045 0.0045 7611 0.000000585
TwoBodyJastrowRef 1.3093 1.3093 7611 0.000172025
Initialization 2.6141 0.7028 1 2.614123028
DeterminantRef::inverse 0.6604 0.6604 2 0.330180984
DeterminantRef::spovgl 0.9950 0.0788 2 0.497524455
Single-Particle Orbitals 0.9163 0.9163 3072 0.000298263
OneBodyJastrowRef 0.0092 0.0092 1 0.009162281
ParticleSet:::update 0.1775 0.1088 2 0.088746520
DTAAOMPTarget::evaluate_e_e 0.0531 0.0531 1 0.053111827
DTABOMPTarget::evaluate_ion_e 0.0156 0.0003 1 0.015576657
DTABOMPTarget::offload_ion_e 0.0153 0.0153 1 0.015298294
TwoBodyJastrowRef 0.0693 0.0693 1 0.069257569
Pseudopotential 20.1270 0.1128 5 4.025390490
DeterminantRef::spoval 16.4194 0.3194 5359 0.003063895
Single-Particle Orbitals 16.1000 16.1000 64308 0.000250358
OneBodyJastrowRef 0.0876 0.0876 5359 0.000016352
ParticleSet:::update 2.5282 0.0199 5359 0.000471766
DTABOMPTarget::evaluate_e_virtual 2.1132 0.0112 5359 0.000394326
DTABOMPTarget::offload_e_virtual 2.1020 2.1020 5359 0.000392245
DTABOMPTarget::evaluate_ion_virtual 0.3951 0.0087 5359 0.000073725
DTABOMPTarget::offload_ion_virtual 0.3864 0.3864 5359 0.000072105
TwoBodyJastrowRef 0.9789 0.9789 5359 0.000182669
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 4.12622e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 7.02911e+10
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 3.75106e+07
* Info: Process finished (host turpancomp0, process 669942)[0m
* Info: Dumping samples (host turpancomp0, process 669942)[0m
* Info: Dumping source info for callchain nodes (host turpancomp0, process 669942)[0m
* Info: Building/writing metadata (host turpancomp0)[0m
* Info: Finished collect step (host turpancomp0, process 669942)[0m
Your experiment path is /work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
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# Functions | Cluster-wide | maqao lprof -df xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/work/m23012/camus/qaas-runs/171-102-6087/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1711026793/tools/lprof_npsu_run_0 #
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