* 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 769039)[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 0.0722 0.0722 1 0.072176119
ParticleSet:::update 0.0000 0.0000 1 0.000002212
Total 177.9386 20.9040 1 177.938563914
Diffusion 104.7357 0.0835 5 20.947130899
Complete Updates 1.1977 0.0000 5 0.239549551
DeterminantRef::update 1.1977 1.1977 10 0.119770784
Current Gradient 5.1670 0.0917 30720 0.000168198
DeterminantRef::ratio 5.0151 5.0151 30720 0.000163250
OneBodyJastrowRef 0.0346 0.0346 30720 0.000001127
TwoBodyJastrowRef 0.0256 0.0256 30720 0.000000834
Kinetic Energy 0.9081 0.9072 5 0.181623762
OneBodyJastrowRef 0.0005 0.0005 5 0.000096366
TwoBodyJastrowRef 0.0004 0.0004 5 0.000077635
New Gradient 16.7957 0.0864 30720 0.000546737
DeterminantRef::ratio 0.1986 0.1986 30720 0.000006464
DeterminantRef::spovgl 15.0000 0.2511 30720 0.000488281
Single-Particle Orbitals 14.7489 14.7489 30720 0.000480106
OneBodyJastrowRef 0.2228 0.2228 30720 0.000007254
TwoBodyJastrowRef 1.2879 1.2879 30720 0.000041923
ParticleSet:::acceptMove 13.8461 0.0577 15371 0.000900793
DTAAOMPTarget::update_e_e 13.7074 13.7074 15371 0.000891771
DTABOMPTarget::update_ion_e 0.0810 0.0810 15371 0.000005267
ParticleSet:::computeNewPosDT 2.4371 0.0615 30720 0.000079331
DTAAOMPTarget::move_e_e 2.1511 2.1511 30720 0.000070023
DTABOMPTarget::move_ion_e 0.2244 0.2244 30720 0.000007306
ParticleSet:::donePbyP 0.0000 0.0000 5 0.000000512
Update 64.3004 0.0386 15371 0.004183225
DeterminantRef::update 62.5144 62.5144 15371 0.004067037
OneBodyJastrowRef 0.0116 0.0116 15371 0.000000753
TwoBodyJastrowRef 1.7358 1.7358 15371 0.000112926
Initialization 11.3517 4.6532 1 11.351719176
DeterminantRef::inverse 3.0567 3.0567 2 1.528360681
DeterminantRef::spovgl 3.1283 0.0560 2 1.564149300
Single-Particle Orbitals 3.0723 3.0723 6144 0.000500053
OneBodyJastrowRef 0.0112 0.0112 1 0.011170380
ParticleSet:::update 0.3722 0.2948 2 0.186088927
DTAAOMPTarget::evaluate_e_e 0.0542 0.0542 1 0.054175476
DTABOMPTarget::evaluate_ion_e 0.0232 0.0001 1 0.023193424
DTABOMPTarget::offload_ion_e 0.0231 0.0231 1 0.023137228
TwoBodyJastrowRef 0.1302 0.1302 1 0.130183482
Pseudopotential 40.9471 0.1876 5 8.189428136
DeterminantRef::spoval 31.5459 0.6469 10215 0.003088195
Single-Particle Orbitals 30.8990 30.8990 122580 0.000252072
OneBodyJastrowRef 0.1055 0.1055 10215 0.000010324
ParticleSet:::update 7.1958 0.0299 10215 0.000704435
DTABOMPTarget::evaluate_e_virtual 6.4632 0.0146 10215 0.000632717
DTABOMPTarget::offload_e_virtual 6.4486 6.4486 10215 0.000631289
DTABOMPTarget::evaluate_ion_virtual 0.7027 0.0102 10215 0.000068789
DTABOMPTarget::offload_ion_virtual 0.6925 0.6925 10215 0.000067794
TwoBodyJastrowRef 1.9123 1.9123 10215 0.000187209
========== Throughput ============
Total throughput ( N_walkers * N_elec^3 / Total time ) = 8.34187e+10
Diffusion throughput ( N_walkers * N_elec^3 / Diffusion time ) = 1.41723e+11
Pseudopotential throughput ( N_walkers * N_elec^2 / Pseudopotential time ) = 5.90009e+07
Your experiment path is /home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/compilers/gcc_3/oneview_results_1712762719/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/171-275-7410/intel/miniqmc/run/oneview_runs/compilers/gcc_3/oneview_results_1712762719/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/compilers/gcc_3/oneview_results_1712762719/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/compilers/gcc_3/oneview_results_1712762719/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/compilers/gcc_3/oneview_results_1712762719/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/hbollore/qaas-runs/171-275-7410/intel/miniqmc/run/oneview_runs/compilers/gcc_3/oneview_results_1712762719/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/compilers/gcc_3/oneview_results_1712762719/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/compilers/gcc_3/oneview_results_1712762719/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/compilers/gcc_3/oneview_results_1712762719/tools/lprof_npsu_run_0 #
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