* 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 8244)[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 0.0861 0.0861 1 0.086097316
ParticleSet:::update 0.0000 0.0000 1 0.000003164
Total 172.4721 17.8093 1 172.472081136
Diffusion 102.2390 0.0811 5 20.447802239
Complete Updates 1.2183 0.0000 5 0.243656913
DeterminantRef::update 1.2182 1.2182 10 0.121824055
Current Gradient 5.1559 0.0816 30720 0.000167835
DeterminantRef::ratio 5.0077 5.0077 30720 0.000163011
OneBodyJastrowRef 0.0433 0.0433 30720 0.000001409
TwoBodyJastrowRef 0.0233 0.0233 30720 0.000000759
Kinetic Energy 0.8904 0.8897 5 0.178079333
OneBodyJastrowRef 0.0004 0.0004 5 0.000082640
TwoBodyJastrowRef 0.0003 0.0003 5 0.000052871
New Gradient 13.4375 0.0881 30720 0.000437418
DeterminantRef::ratio 0.1823 0.1823 30720 0.000005933
DeterminantRef::spovgl 11.5201 0.4666 30720 0.000375003
Single-Particle Orbitals 11.0534 11.0534 30720 0.000359813
OneBodyJastrowRef 0.1906 0.1906 30720 0.000006204
TwoBodyJastrowRef 1.4564 1.4564 30720 0.000047409
ParticleSet:::acceptMove 14.3838 0.0513 15371 0.000935778
DTAAOMPTarget::update_e_e 14.2436 14.2436 15371 0.000926654
DTABOMPTarget::update_ion_e 0.0890 0.0890 15371 0.000005788
ParticleSet:::computeNewPosDT 2.3959 0.0557 30720 0.000077990
DTAAOMPTarget::move_e_e 2.1284 2.1284 30720 0.000069283
DTABOMPTarget::move_ion_e 0.2118 0.2118 30720 0.000006894
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000001722
Update 64.6761 0.0433 15371 0.004207672
DeterminantRef::update 62.7907 62.7907 15371 0.004085009
OneBodyJastrowRef 0.0115 0.0115 15371 0.000000747
TwoBodyJastrowRef 1.8307 1.8307 15371 0.000119098
Initialization 11.2219 5.4481 1 11.221920962
DeterminantRef::inverse 3.0032 3.0032 2 1.501615157
DeterminantRef::spovgl 2.4186 0.0890 2 1.209324821
Single-Particle Orbitals 2.3296 2.3296 6144 0.000379173
OneBodyJastrowRef 0.0118 0.0118 1 0.011820302
ParticleSet:::update 0.2110 0.0982 2 0.105513070
DTAAOMPTarget::evaluate_e_e 0.0792 0.0792 1 0.079213972
DTABOMPTarget::evaluate_ion_e 0.0336 0.0001 1 0.033576544
DTABOMPTarget::offload_ion_e 0.0335 0.0335 1 0.033503914
TwoBodyJastrowRef 0.1291 0.1291 1 0.129071229
Pseudopotential 41.2019 0.1967 5 8.240370523
DeterminantRef::spoval 32.4369 0.6956 10215 0.003175423
Single-Particle Orbitals 31.7413 31.7413 122580 0.000258944
OneBodyJastrowRef 0.1028 0.1028 10215 0.000010061
ParticleSet:::update 6.4147 0.0399 10215 0.000627968
DTABOMPTarget::evaluate_e_virtual 5.8032 0.0159 10215 0.000568107
DTABOMPTarget::offload_e_virtual 5.7873 5.7873 10215 0.000566554
DTABOMPTarget::evaluate_ion_virtual 0.5716 0.0130 10215 0.000055952
DTABOMPTarget::offload_ion_virtual 0.5586 0.5586 10215 0.000054680
TwoBodyJastrowRef 2.0508 2.0508 10215 0.000200760
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 8.60627e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.45183e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 5.86362e+07
Your experiment path is /home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0
To display your profiling results:
#######################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/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/compilers/armclang_3/oneview_results_1712851822/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/compilers/armclang_3/oneview_results_1712851822/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/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/hbollore/qaas-runs/171-284-6744/intel/miniqmc/run/oneview_runs/compilers/armclang_3/oneview_results_1712851822/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/compilers/armclang_3/oneview_results_1712851822/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/compilers/armclang_3/oneview_results_1712851822/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/compilers/armclang_3/oneview_results_1712851822/tools/lprof_npsu_run_0 #
#######################################################################################################################################################################################################
