* 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 764995)[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 0.0789 0.0789 1 0.078940874
ParticleSet:::update 0.0000 0.0000 1 0.000002384
Total 178.4467 21.1282 1 178.446692057
Diffusion 104.0492 0.0798 5 20.809844055
Complete Updates 1.2251 0.0000 5 0.245016112
DeterminantRef::update 1.2250 1.2250 10 0.122503453
Current Gradient 5.1349 0.0923 30720 0.000167151
DeterminantRef::ratio 4.9765 4.9765 30720 0.000161997
OneBodyJastrowRef 0.0366 0.0366 30720 0.000001191
TwoBodyJastrowRef 0.0295 0.0295 30720 0.000000960
Kinetic Energy 0.8950 0.8941 5 0.178996669
OneBodyJastrowRef 0.0005 0.0005 5 0.000099057
TwoBodyJastrowRef 0.0004 0.0004 5 0.000080660
New Gradient 16.4956 0.0881 30720 0.000536966
DeterminantRef::ratio 0.1732 0.1732 30720 0.000005637
DeterminantRef::spovgl 14.7365 0.2544 30720 0.000479703
Single-Particle Orbitals 14.4821 14.4821 30720 0.000471422
OneBodyJastrowRef 0.2063 0.2063 30720 0.000006716
TwoBodyJastrowRef 1.2915 1.2915 30720 0.000042042
ParticleSet:::acceptMove 13.8848 0.0525 15371 0.000903314
DTAAOMPTarget::update_e_e 13.7522 13.7522 15371 0.000894682
DTABOMPTarget::update_ion_e 0.0802 0.0802 15371 0.000005219
ParticleSet:::computeNewPosDT 2.4122 0.0609 30720 0.000078523
DTAAOMPTarget::move_e_e 2.1284 2.1284 30720 0.000069284
DTABOMPTarget::move_ion_e 0.2230 0.2230 30720 0.000007258
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000000421
Update 63.9218 0.0356 15371 0.004158595
DeterminantRef::update 62.1253 62.1253 15371 0.004041720
OneBodyJastrowRef 0.0127 0.0127 15371 0.000000825
TwoBodyJastrowRef 1.7482 1.7482 15371 0.000113736
Initialization 11.8804 5.8924 1 11.880431322
DeterminantRef::inverse 2.6191 2.6191 2 1.309527398
DeterminantRef::spovgl 3.0597 0.0443 2 1.529856550
Single-Particle Orbitals 3.0154 3.0154 6144 0.000490791
OneBodyJastrowRef 0.0060 0.0060 1 0.005974795
ParticleSet:::update 0.2091 0.0556 2 0.104566214
DTAAOMPTarget::evaluate_e_e 0.1224 0.1224 1 0.122411661
DTABOMPTarget::evaluate_ion_e 0.0311 0.0001 1 0.031141467
DTABOMPTarget::offload_ion_e 0.0310 0.0310 1 0.031026085
TwoBodyJastrowRef 0.0941 0.0941 1 0.094113789
Pseudopotential 41.3889 0.1984 5 8.277772242
DeterminantRef::spoval 31.9150 0.6582 10215 0.003124325
Single-Particle Orbitals 31.2568 31.2568 122580 0.000254991
OneBodyJastrowRef 0.0989 0.0989 10215 0.000009684
ParticleSet:::update 7.2696 0.0347 10215 0.000711663
DTABOMPTarget::evaluate_e_virtual 6.5186 0.0145 10215 0.000638141
DTABOMPTarget::offload_e_virtual 6.5041 6.5041 10215 0.000636720
DTABOMPTarget::evaluate_ion_virtual 0.7163 0.0116 10215 0.000070121
DTABOMPTarget::offload_ion_virtual 0.7047 0.7047 10215 0.000068990
TwoBodyJastrowRef 1.9070 1.9070 10215 0.000186681
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 8.31812e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.42658e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 5.83712e+07
Your experiment path is /home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0
To display your profiling results:
################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/defaults/orig/oneview_results_1712759427/tools/lprof_npsu_run_0 #
################################################################################################################################################################################################
