* Info: Detected 1 Lprof instances in ip-172-31-47-249.ec2.internal.
If this is incorrect, rerun with number-processes-per-node=X
miniqmc 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 = 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 0.0569 0.0569 1 0.056893916
ParticleSet:::update 0.0000 0.0000 1 0.000002200
Total 144.5607 1.0262 1 144.560721103
Diffusion 90.1608 0.0812 5 18.032155144
Complete Updates 0.9230 0.0000 5 0.184604399
DeterminantRef::update 0.9230 0.9230 10 0.092298029
Current Gradient 4.3271 0.0950 30720 0.000140856
DeterminantRef::ratio 4.1946 4.1946 30720 0.000136544
OneBodyJastrowRef 0.0225 0.0225 30720 0.000000731
TwoBodyJastrowRef 0.0150 0.0150 30720 0.000000488
Kinetic Energy 0.9104 0.9095 5 0.182086242
OneBodyJastrowRef 0.0005 0.0005 5 0.000101462
TwoBodyJastrowRef 0.0004 0.0004 5 0.000087238
New Gradient 13.3974 0.0980 30720 0.000436115
DeterminantRef::ratio 0.0989 0.0989 30720 0.000003219
DeterminantRef::spovgl 12.0078 0.2997 30720 0.000390878
Single-Particle Orbitals 11.7080 11.7080 30720 0.000381121
OneBodyJastrowRef 0.1718 0.1718 30720 0.000005594
TwoBodyJastrowRef 1.0210 1.0210 30720 0.000033236
ParticleSet:::acceptMove 12.9641 0.0426 15371 0.000843413
DTAAOMPTarget::update_e_e 12.8428 12.8428 15371 0.000835521
DTABOMPTarget::update_ion_e 0.0787 0.0787 15371 0.000005119
ParticleSet:::computeNewPosDT 2.4058 0.0486 30720 0.000078314
DTAAOMPTarget::move_e_e 2.1437 2.1437 30720 0.000069783
DTABOMPTarget::move_ion_e 0.2135 0.2135 30720 0.000006948
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001840
Update 55.1516 0.0408 15371 0.003588030
DeterminantRef::update 53.5275 53.5275 15371 0.003482373
OneBodyJastrowRef 0.0062 0.0062 15371 0.000000406
TwoBodyJastrowRef 1.5770 1.5770 15371 0.000102597
Initialization 11.2197 5.7556 1 11.219655124
DeterminantRef::inverse 2.7166 2.7166 2 1.358282035
DeterminantRef::spovgl 2.2558 0.0555 2 1.127908237
Single-Particle Orbitals 2.2004 2.2004 6144 0.000358131
OneBodyJastrowRef 0.0153 0.0153 1 0.015337988
ParticleSet:::update 0.3463 0.2050 2 0.173157316
DTAAOMPTarget::evaluate_e_e 0.1243 0.1243 1 0.124268800
DTABOMPTarget::evaluate_ion_e 0.0170 0.0004 1 0.017016050
DTABOMPTarget::offload_ion_e 0.0166 0.0166 1 0.016591899
TwoBodyJastrowRef 0.1300 0.1300 1 0.130024580
Pseudopotential 42.1541 0.2347 5 8.430810516
DeterminantRef::spoval 30.7197 0.4103 10215 0.003007310
Single-Particle Orbitals 30.3093 30.3093 122580 0.000247262
OneBodyJastrowRef 0.0959 0.0959 10215 0.000009386
ParticleSet:::update 8.1482 0.0350 10215 0.000797673
DTABOMPTarget::evaluate_e_virtual 7.2787 0.0178 10215 0.000712550
DTABOMPTarget::offload_e_virtual 7.2609 7.2609 10215 0.000710812
DTABOMPTarget::evaluate_ion_virtual 0.8346 0.0173 10215 0.000081700
DTABOMPTarget::offload_ion_virtual 0.8173 0.8173 10215 0.000080006
TwoBodyJastrowRef 2.9555 2.9555 10215 0.000289334
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 1.54019e+11
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 2.46949e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 8.59675e+07
Your experiment path is /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/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/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/defaults/gcc/oneview_results_1741358813/tools/lprof_npsu_run_0 #
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