* Info: Detected 1 Lprof instances in ip-172-31-42-13: processes-per-node/ppn set accordingly.
If this is incorrect, rerun with an explicit value for this setting
* Info: Process launched (host ip-172-31-42-13, process 4931)[0mminiqmc not built from git repository
number of ranks : 1, number of accelerators : 0
Number of orbitals/splines = 3072
Tile size = 3072
Number of tiles = 1
Number of electrons = 6144
Rmax = 1.7
AcceptanceRatio = 0.5
Iterations = 5
MPI processes = 1
OpenMP threads = 64
Number of walkers per rank = 64
SPO coefficients size = 1572864000 bytes (1500 MB)
delayed update rank = 32
Using the reference implementation for Jastrow,
determinant update, and distance table + einspline of the
reference implementation
==================================
Use --enable-timers= command line option to increase or decrease level of timing information
Stack timer profile
Timer Inclusive_time Exclusive_time Calls Time_per_call
Setup 0.0791 0.0791 1 0.079056829
ParticleSet:::update 0.0000 0.0000 1 0.000002607
Total 171.3602 18.2677 1 171.360177740
Diffusion 101.9259 0.0822 5 20.385186620
Complete Updates 1.1734 0.0000 5 0.234688030
DeterminantRef::update 1.1734 1.1734 10 0.117339495
Current Gradient 5.0578 0.0781 30720 0.000164641
DeterminantRef::ratio 4.9151 4.9151 30720 0.000159997
OneBodyJastrowRef 0.0398 0.0398 30720 0.000001296
TwoBodyJastrowRef 0.0247 0.0247 30720 0.000000806
Kinetic Energy 0.8952 0.8943 5 0.179035729
OneBodyJastrowRef 0.0005 0.0005 5 0.000105700
TwoBodyJastrowRef 0.0003 0.0003 5 0.000065305
New Gradient 13.4609 0.0825 30720 0.000438181
DeterminantRef::ratio 0.1825 0.1825 30720 0.000005940
DeterminantRef::spovgl 11.4811 0.4603 30720 0.000373733
Single-Particle Orbitals 11.0208 11.0208 30720 0.000358751
OneBodyJastrowRef 0.2034 0.2034 30720 0.000006620
TwoBodyJastrowRef 1.5115 1.5115 30720 0.000049204
ParticleSet:::acceptMove 14.3078 0.0576 15371 0.000930832
DTAAOMPTarget::update_e_e 14.1478 14.1478 15371 0.000920419
DTABOMPTarget::update_ion_e 0.1025 0.1025 15371 0.000006668
ParticleSet:::computeNewPosDT 2.3388 0.0547 30720 0.000076132
DTAAOMPTarget::move_e_e 2.0623 2.0623 30720 0.000067133
DTABOMPTarget::move_ion_e 0.2217 0.2217 30720 0.000007217
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001648
Update 64.6098 0.0398 15371 0.004203356
DeterminantRef::update 62.7276 62.7276 15371 0.004080902
OneBodyJastrowRef 0.0104 0.0104 15371 0.000000678
TwoBodyJastrowRef 1.8320 1.8320 15371 0.000119186
Initialization 9.9346 3.9961 1 9.934553560
DeterminantRef::inverse 3.0466 3.0466 2 1.523321356
DeterminantRef::spovgl 2.5747 0.1209 2 1.287333105
Single-Particle Orbitals 2.4537 2.4537 6144 0.000399369
OneBodyJastrowRef 0.0097 0.0097 1 0.009738203
ParticleSet:::update 0.1860 0.0633 2 0.093019399
DTAAOMPTarget::evaluate_e_e 0.0908 0.0908 1 0.090793673
DTABOMPTarget::evaluate_ion_e 0.0319 0.0002 1 0.031905167
DTABOMPTarget::offload_ion_e 0.0318 0.0318 1 0.031754108
TwoBodyJastrowRef 0.1214 0.1214 1 0.121372182
Pseudopotential 41.2320 0.1917 5 8.246392609
DeterminantRef::spoval 32.4755 0.6800 10215 0.003179201
Single-Particle Orbitals 31.7956 31.7956 122580 0.000259386
OneBodyJastrowRef 0.1128 0.1128 10215 0.000011044
ParticleSet:::update 6.4241 0.0418 10215 0.000628887
DTABOMPTarget::evaluate_e_virtual 5.8307 0.0167 10215 0.000570799
DTABOMPTarget::offload_e_virtual 5.8140 5.8140 10215 0.000569168
DTABOMPTarget::evaluate_ion_virtual 0.5516 0.0146 10215 0.000053995
DTABOMPTarget::offload_ion_virtual 0.5369 0.5369 10215 0.000052563
TwoBodyJastrowRef 2.0278 2.0278 10215 0.000198515
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 8.66211e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.45629e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 5.85934e+07
Your experiment path is /home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/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=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712848695/tools/lprof_npsu_run_0 #
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