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Level Max Thread Time / Walltime orig_0 (%) Exclusive Coverage orig_0 (%) Inclusive Coverage orig_0 (%) Max Exclusive Time Over Threads orig_0 (s) Max Inclusive Time Over Threads orig_0 (s) Exclusive Time w.r.t. Wall Time orig_0 (s) Inclusive Time w.r.t. Wall Time orig_0 (s) Nb Threads orig_0 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing orig_0 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect Array Access Efficiency Level Max Thread Time / Walltime Exclusive Coverage Inclusive Coverage Max Exclusive Time Over Threads Max Inclusive Time Over Threads Exclusive Time w.r.t. Wall Time Inclusive Time w.r.t. Wall Time Nb Threads Vectorization Ratio Vector Length Use Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect Array Access Efficiency
Loop idSource LocationSource FunctionLevelMax Thread Time / Walltime orig_0 (%)Exclusive Coverage orig_0 (%)Inclusive Coverage orig_0 (%)Max Exclusive Time Over Threads orig_0 (s)Max Inclusive Time Over Threads orig_0 (s)Exclusive Time w.r.t. Wall Time orig_0 (s)Inclusive Time w.r.t. Wall Time orig_0 (s)Nb Threads orig_0Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing orig_0Stride 0Stride 1Stride nStride UnknownStride IndirectArray Access Efficiency
19140exec - pair_eam.cpp:272-326 [...]LAMMPS_NS::PairEAM::compute(int, int)Innermost45.0644.7344.7319.1719.1718.8318.839622.2259.032.2611.191.02NANANANANA0.00
19143exec - pair_eam.cpp:188-215LAMMPS_NS::PairEAM::compute(int, int)InBetween26.6126.3226.4411.3211.3811.0811.139619.3556.452.2211.21.02NANANANANA0.00
1220exec - npair_bin.cpp:122-219 [...]LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*)Innermost13.3213.0913.095.675.675.515.519621.0553.953.2211.221.03NANANANANA0.00
11085exec - fix_nve.cpp:98-106LAMMPS_NS::FixNVE::initial_integrate(int)Single2.902.832.831.241.241.191.19967.1452.681.251.161.561.04NANANANANA0.00
11087exec - fix_nve.cpp:138-143LAMMPS_NS::FixNVE::final_integrate()Single1.991.761.760.850.850.740.74966.6751.671.381.261.491.14NANANANANA0.00
1219exec - npair_bin.cpp:112-219 [...]LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*)InBetween2.061.6614.890.886.390.706.2796037.5113.581.25NANANANANA0.00
19144exec - pair_eam.cpp:188-217LAMMPS_NS::PairEAM::compute(int, int)Outermost1.771.4527.890.7511.900.6111.74962562.51.891.71.171.24NANANANANA0.00
6778exec - comm_brick.cpp:841-844LAMMPS_NS::CommBrick::borders()Innermost0.740.650.650.310.310.270.2796035313.691.16NANANANANA0.00
19139exec - pair_eam.cpp:261-326 [...]LAMMPS_NS::PairEAM::compute(int, int)Outermost0.650.4445.170.2819.310.1919.029628.5757.142.8911.211.49NANANANANA0.00
19141exec - pair_eam.cpp:232-249LAMMPS_NS::PairEAM::compute(int, int)Single0.580.390.390.250.250.170.17969.0952.271.521.291.381.48NANANANANA0.00
983exec - neighbor.cpp:2430-2435LAMMPS_NS::Neighbor::check_distance()Single0.470.320.320.200.200.130.139636.3668.181.691.091.21.50202075.00
6773exec - comm_brick.cpp:709-715LAMMPS_NS::CommBrick::exchange()Innermost0.350.270.270.150.150.110.1196035.298.2913.441.32NANANANANA0.00
5846exec - atom_vec.cpp:362-366LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*)Single0.410.260.260.170.170.110.11960501.31121.622001162.50
5947exec - atom_vec.cpp:735-739LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*)Single0.360.250.250.160.160.100.10969.0954.551.241.241.561.482001162.50
991exec - neighbor.cpp:2480-2483LAMMPS_NS::Neighbor::build(int)Single0.250.220.220.100.100.090.09960501.31121.162002075.00
1221exec - npair_bin.cpp:122-219 [...]LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*)Innermost0.240.140.140.100.100.060.069618.5253.71.7111.051.68NANANANANA0.00
1218exec - npair_bin.cpp:93-248 [...]LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*)InBetween0.270.1415.030.116.440.066.33967.6940.38911.331.94NANANANANA0.00
19142exec - pair_eam.cpp:188-197 [...]LAMMPS_NS::PairEAM::compute(int, int)Innermost0.190.120.120.080.080.050.05960501121.57NANANANANA0.00
14394exec - nbin_standard.cpp:254-258LAMMPS_NS::NBinStandard::bin_atoms()Single0.180.110.110.080.080.050.0596029.17113.531.571000150.00
8883exec - domain.cpp:806-883LAMMPS_NS::Domain::pbc()Single0.160.100.100.070.070.040.04963.647.071.671.221.531.6NANANANANA0.00
2024exec - pair.cpp:1761-1767LAMMPS_NS::Pair::virial_fdotr_compute()Single0.110.080.080.040.040.030.03960501.111.0521.413002080.00
5969exec - atom_vec.cpp:804-811 [...]LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*)Single0.180.070.070.080.080.030.0395052.782.0811.52.41001425.00
5847exec - atom_vec.cpp:378-382LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*)Single0.200.070.070.080.080.030.03800501.311.1322.342001162.50
19152exec - pair_eam.cpp:939-941LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*)Single0.130.070.070.060.060.030.03950501.25121.811100166.67
19159exec - pair_eam.cpp:976-978LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*)Single0.120.050.050.050.050.020.02960501.331.1422.441000150.00
6015exec - atom_vec.cpp:1035-1041 [...]LAMMPS_NS::AtomVec::unpack_border(int, int, double*)Single0.110.050.050.050.050.020.02960401.8512.592.240001050.00
8444exec - compute_temp.cpp:90-92LAMMPS_NS::ComputeTemp::compute_scalar()Single0.070.040.040.030.030.020.029618.1856.821.6711.31.6NANANANANA0.00
5970exec - atom_vec.cpp:823-830 [...]LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*)Single0.110.020.020.040.040.010.0165052.082.081.261.53.321001425.00
8682exec - create_atoms.cpp:1467-1614 [...]LAMMPS_NS::CreateAtoms::loop_lattice(int)InBetween0.050.020.020.020.020.010.01838.248.362.3811.272.53NANANANANA0.00
19156exec - pair_eam.cpp:965-965LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*)Innermost0.060.010.010.020.020.010.016766.6783.33111.093.2802000100.00
5574exec - atom.cpp:2414-2426LAMMPS_NS::Atom::sort()Single0.020.010.010.010.010.010.01794384.251.311.841.651001150.00
3774exec - velocity.cpp:757-761LAMMPS_NS::Velocity::zero_momentum()Single0.010.010.010.010.010.000.00823.8542.631.171.171.7711.50.500.5093.75
19153exec - pair_eam.cpp:954-954LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*)Innermost0.040.010.010.010.010.000.005866.6783.33111.092.2602000100.00
3778exec - velocity.cpp:726-730LAMMPS_NS::Velocity::rescale(double, double)Single0.010.010.010.010.010.000.007221.4350.61.2911.47110.500.5091.67
1136exec - memory.h:190-192double** LAMMPS_NS::Memory::grow<double>(double**&, int, int, char const*)Single0.020.010.010.010.010.000.00500501121.591001075.00
12528exec - group.cpp:1183-1188LAMMPS_NS::Group::vcm(int, double, double*)Single0.010.010.010.010.010.000.004837.565.631.611.191NANANANANA0.00
3780exec - timer.h:54-102 [...]LAMMPS_NS::Verlet::run(int)Single0.020.010.010.010.010.000.0035030.86.7213.841.67NANANANANA0.00
3448exec - variable.cpp:917-919LAMMPS_NS::Variable::set_arrays(int)Single0.010.000.000.010.010.000.003305011210000.67050.00
5571exec - atom.cpp:2462-2464LAMMPS_NS::Atom::sort()Innermost0.040.000.000.010.010.000.00220251142.361002240.00
14395exec - nbin_standard.cpp:226-226LAMMPS_NS::NBinStandard::bin_atoms()Single0.020.000.000.010.010.000.00240251141.8510000100.00
1128exec - neighbor.cpp:3045-3046LAMMPS_NS::Neighbor::get_nneigh_half()Innermost0.020.000.000.010.010.000.00210501121.910100150.00
678exec - modify.cpp:285-286LAMMPS_NS::Modify::init()Innermost0.010.000.000.010.010.000.001792.3196.151.25111000000.00
1217exec - my_page.h:51-91 [...]LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*)Outermost0.040.0015.040.026.380.006.3312NANANANANA2.25NANANANANA0.00
12516exec - group.cpp:875-876LAMMPS_NS::Group::mass(int)Single0.010.000.000.000.000.000.00150451.81.531NANANANANA0.00
12513exec - group.cpp:822-823LAMMPS_NS::Group::count(int)Single0.020.000.000.010.010.000.00983.3391.67111.071.2901000100.00
5570exec - atom.cpp:2458-2467LAMMPS_NS::Atom::sort()Outermost0.020.000.010.010.010.000.0011035113.681.57NANANANANA60.00
3750exec - velocity.cpp:332-349LAMMPS_NS::Velocity::create(double, int)InBetween0.010.000.000.010.010.000.00123.749.074.8321.451NANANANANA0.00
6762exec - comm_brick.cpp:552-589LAMMPS_NS::CommBrick::forward_comm(int)Outermost0.020.000.000.010.010.000.0011038.94113.31.83NANANANANA0.00
5573exec - atom.cpp:2439-2440LAMMPS_NS::Atom::sort()Innermost0.010.000.000.010.010.000.00802511411000150.00
753exec - modify.cpp:481-481LAMMPS_NS::Modify::final_integrate()Single0.010.000.000.010.010.000.008NANA1NANA11002150.00
6772exec - comm_brick.cpp:755-757LAMMPS_NS::CommBrick::exchange()Innermost0.010.000.000.010.010.000.00705021210004050.00
5610exec - atom.cpp:945-945LAMMPS_NS::Atom::tag_extend()Single0.010.000.000.010.010.000.007100100111101000100.00
5572exec - atom.cpp:2437-2440LAMMPS_NS::Atom::sort()Outermost0.010.000.000.010.010.000.006031.2511410002050.00
5606exec - atom.cpp:971-971LAMMPS_NS::Atom::tag_extend()Single0.010.000.000.010.010.000.006028.1311410.50000100.00
5569exec - atom.cpp:2449-2449LAMMPS_NS::Atom::sort()Single0.010.000.000.010.010.000.005025114110000100.00
6777exec - comm_brick.cpp:795-961 [...]LAMMPS_NS::CommBrick::borders()InBetween0.010.000.650.010.280.000.2751.4332.863.6313.511NANANANANA0.00
992exec - memory.h:155-157LAMMPS_NS::Neighbor::build(int)Single0.010.000.000.000.000.000.00505011211001075.00
744exec - modify.cpp:401-402LAMMPS_NS::Modify::initial_integrate(int)Single0.010.000.000.000.000.000.00402511411002150.00
8681exec - create_atoms.cpp:1467-1614 [...]LAMMPS_NS::CreateAtoms::loop_lattice(int)Outermost0.010.000.020.010.020.000.01433.3358.331.411.41NANANANANA0.00
676exec - modify.cpp:290-291LAMMPS_NS::Modify::init()Single0.010.000.000.000.000.000.00437.548.441.25111NANANANANA0.00
5607exec - atom.cpp:958-958LAMMPS_NS::Atom::tag_extend()Single0.010.000.000.010.010.000.00393.7584.38111.17101000100.00
987exec - neighbor.cpp:2522-2527LAMMPS_NS::Neighbor::build(int)Single0.010.000.000.010.010.000.003037.5113.0511003431.25
3781exec - verlet.cpp:386-421 [...]LAMMPS_NS::Verlet::force_clear()Single0.010.000.000.010.010.000.003044.05111.031NANANANANA0.00
3751exec - velocity.cpp:332-349LAMMPS_NS::Velocity::create(double, int)Outermost0.010.000.000.010.010.000.003NANA1NANA1NANANANANA0.00
961exec - memory.h:155-157LAMMPS_NS::Neighbor::init()Innermost0.010.000.000.000.000.000.00205011211001075.00
7019exec - compute.cpp:229-232LAMMPS_NS::Compute::matchstep(long)Single0.010.000.000.000.000.000.002045.831141NANANANANA0.00
3749exec - velocity.cpp:332-333LAMMPS_NS::Velocity::create(double, int)Innermost0.010.000.000.000.000.000.002039.29112.731NANANANANA0.00
6766exec - comm_brick.cpp:612-637LAMMPS_NS::CommBrick::reverse_comm()Outermost0.010.000.000.000.000.000.002038.75113.411NANANANANA0.00
6776exec - comm_brick.cpp:795-961 [...]LAMMPS_NS::CommBrick::borders()Outermost0.010.000.650.000.280.000.272035.71111.171NANANANANA0.00
6771exec - comm_brick.cpp:698-758 [...]LAMMPS_NS::CommBrick::exchange()Outermost0.010.000.270.000.130.000.1120501.71121NANANANANA0.00
12841exec - integrate.cpp:110-111LAMMPS_NS::Integrate::ev_set(long)Single0.010.000.000.010.010.000.001037.5113.06110000100.00
2630exec - run.cpp:81-247 [...]LAMMPS_NS::Run::command(int, char**)InBetween0.010.000.000.000.000.000.0018.4947.885.2211.21NANANANANA0.00
1093exec - neighbor.cpp:2344-2345LAMMPS_NS::Neighbor::setup_bins()Single0.010.000.000.000.000.000.00102511411002066.67
5604exec - atom.cpp:912-914LAMMPS_NS::Atom::tag_check()Innermost0.010.000.000.010.010.000.001100100111101000100.00
988exec - neighbor.cpp:2513-2515LAMMPS_NS::Neighbor::build(int)Single0.010.000.000.010.010.000.00102511411004060.00
6770exec - comm_brick.cpp:698-755 [...]LAMMPS_NS::CommBrick::exchange()InBetween0.010.000.270.000.130.000.111038.6413.511.361NANANANANA0.00
6765exec - comm_brick.cpp:552-583 [...]LAMMPS_NS::CommBrick::forward_comm(int)Innermost0.010.000.000.000.000.000.001042.86113.431NANANANANA0.00
8680exec - create_atoms.cpp:1467-1544 [...]LAMMPS_NS::CreateAtoms::loop_lattice(int)InBetween0.010.000.000.010.010.000.00116.6737.53111NANANANANA0.00
295exec - new_allocator.h:172-172 [...]std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::__cxx11::basic_st...Single0.010.000.000.000.000.000.001047.19112.5110002050.00
3112exec - basic_string.h:198-1619 [...]LAMMPS_NS::Thermo::header()Single0.010.000.000.000.000.000.001046.691111NANANANANA0.00
5568exec - atom.cpp:2408-2408LAMMPS_NS::Atom::sort()Single0.010.000.000.010.010.000.001025114110000100.00
925exec - new_allocator.h:172-172 [...]std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, LAMMPS_NS::Fix* (*)(LA...Single0.010.000.000.010.010.000.001045.83112.5410001.5050.00
6769exec - comm_brick.cpp:634-637LAMMPS_NS::CommBrick::reverse_comm()Innermost0.010.000.000.010.010.000.0010501121NANANANANA0.00
19214exec - pair_eam.cpp:850-850LAMMPS_NS::PairEAM::interpolate(int, double, double*, double**)Single0.010.000.000.010.010.000.00105011211102075.00
12846exec - integrate.cpp:126-127LAMMPS_NS::Integrate::ev_set(long)Single0.010.000.000.010.010.000.001037.5113.06110000100.00
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