options

Loops Index

146 loops have been discarded from the report because their coverage is lower than the threshold set by object_coverage_threshold (0.01%). It represents about 0% of the application. To include them, change the value of object_coverage_threshold in the experiment directory configuration file, then rerun the command with the additionnal parameter --force-static-analysis

▼Colums Filter

Level Coverage 1x52 (%) Max Time Over Threads 1x52 (s) Time w.r.t. Wall Time 1x52 (s) Nb Threads 1x52 GFLOPS 1x52 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing 1x52 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelCoverage 1x52 (%)Max Time Over Threads 1x52 (s)Time w.r.t. Wall Time 1x52 (s)Nb Threads 1x52GFLOPS 1x52Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing 1x52Stride 0Stride 1Stride nStride UnknownStride Indirect
2243libgromacs_mpi.so.7 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost14.5212.5710.04522404.3093.1386.74111.011.320132
2247libgromacs_mpi.so.7 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost5.258.883.63522589.6993.5787.59111.012.5320132
15683libgromacs_mpi.so.7 - pme_gather.cpp:81-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost4.975.333.4452345.5656.1144.551.61.051.261.61NANANANANA
15932libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost3.884.542.69520.00012.51181.7500020
15851libgromacs_mpi.so.7 - pme_spread.cpp:635-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.2]InBetween3.382.932.34522.0006.731.61.8115.521.3NANANANANA
2250libgromacs_mpi.so.7 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost2.141.931.48522759.9592.588.5111.011.3520123
15862libgromacs_mpi.so.7 - pme_spread.cpp:358-400 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]InBetween1.61.521.1152174.9159.2619.721.662.49.61.42NANANANANA
2921libgromacs_mpi.so.7 - kernel_common.cpp:56-74 [...]clearForceBuffer(nbnxn_atomdata_t*, int)Single1.281.280.89520.0054.5560.231111.49NANANANANA
15867libgromacs_mpi.so.7 - pme_spread.cpp:277-292 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]InBetween1.181.270.8152131.6317.169.441.522.83171.61NANANANANA
15717libgromacs_mpi.so.7 - pme_grid.cpp:402-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost1.150.990.8520.0006.2511161.2902000
13986libgromacs_mpi.so.7 - lincs.cpp:276-287gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0]InBetween1.111.050.775232.756.257.421.462.05161.42NANANANANA
15861libgromacs_mpi.so.7 - pme_spread.cpp:445-447spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]Innermost0.850.950.59520.0006.2511161.6700400
2726libgromacs_mpi.so.7 - kernel_prune.cpp:109-163 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.830.670.5852964.6991.9384.661.15111.20.250031.75
2254libgromacs_mpi.so.7 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.821.420.57522900.2292.3188.74111.012.5820123
13977libgromacs_mpi.so.7 - lincs.cpp:417-432 [...]gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) [clone...Single0.81.010.555262.5542.1111.841.281.7411.131.9101060
14221libgromacs_mpi.so.7 - settle.cpp:423-431 [...]void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 16, float const*, true, false>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) [clone .constprop.0]Single0.790.820.5552207.711001001.01111.55300340
2244libgromacs_mpi.so.7 - avx512fintrin.h:371-15343 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.70.710.49521788.5790.1484.191.0111.011.5131321
15931libgromacs_mpi.so.7 - fft5d.cpp:880-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.670.860.46520.0008.871113.261.91NANANANANA
2733libgromacs_mpi.so.7 - atomdata.cpp:1119-1122 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0]InBetween0.630.730.445023.2752.9458.462.1911.161.66NANANANANA
15882libgromacs_mpi.so.7 - pme_spread.cpp:104-145 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.0]Innermost0.610.580.425266.742.727.411.042.16161.4113.50.506.5
2248libgromacs_mpi.so.7 - avx512fintrin.h:371-15343 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.540.930.37522209.5290.7684.721.0111.012.5831321
2242libgromacs_mpi.so.7 - kernel_outer.h:333-595 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.510.630.3552790.1270.2759.491.471.021.331.85NANANANANA
15815libgromacs_mpi.so.7 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.50.460.3552116.836.677.51.023.06161.3910800
5091libgromacs_mpi.so.7 - threaded_force_buffer.cpp:207-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...InBetween0.490.510.345231.3531.8212.361.481.4810.581.55NANANANANA
2246libgromacs_mpi.so.7 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.460.570.32501905.5098.7388.13111.011.7820112
15928libgromacs_mpi.so.7 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.440.440.3520.00012.51181.5201010
15438libgromacs_mpi.so.7 - bonded.cpp:1151-1177 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Outermost0.440.60.3152306.5876.7748.981.0311.342NANANANANA
15816libgromacs_mpi.so.7 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.430.370.352119.976.677.51.023.06161.2810600
14337libgromacs_mpi.so.7 - avx512fintrin.h:457-13377 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...Innermost0.420.370.295275.591001001.03111.3204100
5110libgromacs_mpi.so.7 - threaded_force_buffer.cpp:78-81 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.390.650.27520.0006.2511162.5NANANANANA
15860libgromacs_mpi.so.7 - pme_spread.cpp:441-447spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]InBetween0.380.440.27520.0008.51.68113.471.69NANANANANA
2735libgromacs_mpi.so.7 - atomdata.cpp:1207-1211 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0]Innermost0.360.340.255219.202513.673.65110.331.42NANANANANA
15813libgromacs_mpi.so.7 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.330.270.2352112.9106.2511161.2301100
14311libgromacs_mpi.so.7 - update.cpp:1641-1641gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone ._omp_fn.0]Single0.320.320.22520.0009.381110.671.4500200
2734libgromacs_mpi.so.7 - atomdata.cpp:1122-1122 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0]Innermost0.310.490.214828.951001001112.2301003
3678libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:130-176 [...]makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.310.30.2152185.1980.2641.491.341.191.711.433.500.510
14002libgromacs_mpi.so.7 - lincs.cpp:798-809 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Single0.30.360.2152136.381001001111.8151012
2745libgromacs_mpi.so.7 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.270.450.18360.0006.661.49115.571.7300070
3743libgromacs_mpi.so.7 - pairlist.cpp:2922-3472 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.250.230.175221.415.917.931.712.3122.391.35NANANANANA
14003libgromacs_mpi.so.7 - lincs.cpp:1085-1089 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Outermost0.220.220.155248.4706.251.111.25161.47NANANANANA
15433libgromacs_mpi.so.7 - bonded.cpp:2022-2124 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...Outermost0.210.220.1452713.4371.0432.971.081.071.941.57200160
15583libgromacs_mpi.so.7 - pairs.cpp:863-893 [...]do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...Outermost0.20.20.1452265.4367.3135.821.291.051.451.54NANANANANA
15808libgromacs_mpi.so.7 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.180.170.1352135.7732.8111.131.021.268.631.4213600
15852libgromacs_mpi.so.7 - pme_spread.cpp:639-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.2]Innermost0.170.260.12524.6706.251.241.28162.3600600
15884libgromacs_mpi.so.7 - pme_spread.cpp:172-174spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.0]Innermost0.170.150.11520.0006.2511161.3601142
2754libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0]Innermost0.130.150.095249.0006.251.521.69161.6702020
15814libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.130.140.09521337.671001001111.5602100
15698libgromacs_mpi.so.7 - pme_grid.cpp:535-539unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1]InBetween0.130.150.09520.0008.331.86114.131.88NANANANANA
3745libgromacs_mpi.so.7 - pairlist.cpp:3408-3409PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.130.150.09527.3306.251.111.14161.67NANANANANA
15857libgromacs_mpi.so.7 - pme_spread.cpp:188-199 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]InBetween0.130.150.09520.0008.441114.421.67NANANANANA
14001libgromacs_mpi.so.7 - lincs.cpp:919-930 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.130.170.0952181.331001001111.8914106
15807libgromacs_mpi.so.7 - pme_solve.cpp:234-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.130.170.095286.5618.218.621.441.271.981.89NANANANANA
15434libgromacs_mpi.so.7 - bonded.cpp:2072-2095std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...Innermost0.110.110.085227.004.97.173.361161.3810010.50
2251libgromacs_mpi.so.7 - avx512fintrin.h:371-15343 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.10.10.07522063.4389.1285.831.0111.011.4331321
15584libgromacs_mpi.so.7 - pairs.cpp:869-893 [...]do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...Innermost0.10.110.075237.575.97.5521.19161.8310090.75
15858libgromacs_mpi.so.7 - pme_spread.cpp:197-199spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]Innermost0.090.120.06520.0006.251116202000
3680libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:185-231 [...]makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.090.10.0652315.3379.1441.811.331.191.681.673.500.510
14222libgromacs_mpi.so.7 - settle.cpp:423-674 [...]void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 16, float const*, true, true>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*)Single0.090.10.0652274.6799.899.821.01111.67410360
5087libgromacs_mpi.so.7 - threaded_force_buffer.cpp:182-186 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Innermost0.080.090.055212.8033.3314.58319.51.8NANANANANA
2255libgromacs_mpi.so.7 - avx512fintrin.h:371-15343 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.080.140.06522476.0089.4586.541.0111.012.831321
3679libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:237-243 [...]makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.080.090.05526.4007.61114.271.8NANANANANA
15439libgromacs_mpi.so.7 - bonded.cpp:1157-1177std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Innermost0.080.110.065223.338.898.062.82115.861.83NANANANANA
15461libgromacs_mpi.so.7 - bonded.cpp:444-1084 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...Single0.080.090.0652111.6710.428.781.092.3611.671.82104.50
2249libgromacs_mpi.so.7 - kernel_outer.h:333-603 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.080.090.0552927.6065.0656.251.321.041.391.8NANANANANA
14252libgromacs_mpi.so.7 - vec.h:292-294clearRVecs(gmx::ArrayRef<gmx::BasicVector<float> >, bool) [clone ._omp_fn.0]Single0.070.10.05520.0006.251116200100
3738libgromacs_mpi.so.7 - pairlist.cpp:607-1420 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.070.110.05520.0007.391114.982.2NANANANANA
14066libgromacs_mpi.so.7 - md_support.cpp:139-157 [...]calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone ._omp_fn.0]Innermost0.070.080.0552152.2006.611.181.117.661.6NANANANANA
2253libgromacs_mpi.so.7 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.070.10.05491782.4099.0791.32111.01220112
2732libgromacs_mpi.so.7 - atomdata.cpp:1106-1109 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0]InBetween0.070.450.051919.2056.2561.722.211.143.46NANANANANA
2731libgromacs_mpi.so.7 - atomdata.cpp:1109-1109 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0]Innermost0.060.420.042012.001001001113.8201004
2245libgromacs_mpi.so.7 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.060.10.04481580.0094.2584.841.0311.01221113
14338libgromacs_mpi.so.7 - update.cpp:361-387 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...Innermost0.060.060.0452105.7535.912.341.151.419.221.511520
4258libgromacs_mpi.so.7 - idef.h:232-235 [...]dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone ._omp_fn.0]InBetween0.040.060.03500.0009.324.81120.832NANANANANA
15809libgromacs_mpi.so.7 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.060.0352136.3306.251.041.2316202100
15812libgromacs_mpi.so.7 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.050.0352142.005.267.241.041.04161.67001400
15811libgromacs_mpi.so.7 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.050.0352154.004.657.121.041.04161.67001400
13590libgromacs_mpi.so.7 - calcvir.cpp:61-81 [...]calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])Single0.040.070.035285.3306.2511162.33NANANANANA
15581libgromacs_mpi.so.7 - pairs.cpp:606-824 [...]do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...Single0.040.050.035268.0018.029.682.061.7320.731.67NANANANANA
3729libgromacs_mpi.so.7 - new_allocator.h:187-187 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.040.060.035214.0012.0514.212.851.021.432NANANANANA
2725libgromacs_mpi.so.7 - kernel_prune.cpp:76-163 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.040.060.0352469.3342.6541.181.5911.352NANANANANA
14253libgromacs_mpi.so.7 - vec.h:141-147sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone ._omp_fn.0]Single0.030.050.025038.0028.5711.61119.442.500110
14005libgromacs_mpi.so.7 - lincs.cpp:1087-1089 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.030.050.024441.5006.2511.13162.513020
2730libgromacs_mpi.so.7 - atomdata.cpp:1053-1223 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone ._omp_fn.0]InBetween0.030.050.0250264.0017.1411.883.02120.952.5NANANANANA
5089libgromacs_mpi.so.7 - threaded_force_buffer.cpp:200-200 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Innermost0.030.130.02399.0028.5711.61119.444.3300110
15810libgromacs_mpi.so.7 - pme_solve.cpp:473-475solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.040.025130.5006.25134202000
14000libgromacs_mpi.so.7 - lincs.cpp:1155-1155 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.030.070.025056.001001001113.511600
15473libgromacs_mpi.so.7 - bonded.cpp:1981-2010 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...Outermost0.030.040.025226.0028.5711.614.8116210040
3685libgromacs_mpi.so.7 - pairlist.cpp:3624-3624 [...]rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone ._omp_fn.0]Innermost0.030.050.02490.006.2512.241.6319.452.530.500.50.5
15435libgromacs_mpi.so.7 - bonded.cpp:2138-2254 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Outermost0.020.060.0130776.0071.6635.371.111.061.93200160
15871libgromacs_mpi.so.7 - pme_spread.cpp:277-284 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]Innermost0.020.050.015281.0006.941.18115.7500021
4424libgromacs_mpi.so.7 - hashedmap.h:274-282 [...]int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int...Outermost0.020.060.02430.0008.923.71121.333NANANANANA
14078libgromacs_mpi.so.7 - mdatoms.cpp:336-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0]Outermost0.020.040.01492.0012.659.812.462.38.074NANANANANA
15716libgromacs_mpi.so.7 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Outermost0.020.040.01470.0008.22.46111.54NANANANANA
4440libgromacs_mpi.so.7 - hashedmap.h:274-282 [...]void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...InBetween0.020.030.02510.0009.231126.671.5NANANANANA
15693libgromacs_mpi.so.7 - pme_grid.cpp:520-522unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.0]Innermost0.020.040.02470.0006.251116202000
14327libgromacs_mpi.so.7 - stl_vector.h:1258-1263 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...InBetween0.020.030.014432.0027.4818.672.191.081.73NANANANANA
2861libgromacs_mpi.so.7 - grid.cpp:329-407 [...]Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .isra.0]Outermost0.010.030260.0008.043.551.9714.743NANANANANA
14037libgromacs_mpi.so.7 - new_allocator.h:187-187 [...]gmx::lincs_thread_setup(gmx::Lincs*, int) [clone ._omp_fn.0]Innermost0.010.020.01380.00011.011112.182NANANANANA
4427libgromacs_mpi.so.7 - stl_vector.h:1145-1145 [...]int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int...InBetween0.010.020270.0006.89111620.671.67010
4437libgromacs_mpi.so.7 - stl_vector.h:990-1936 [...]void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...Outermost0.010.030300.00011.141112.463NANANANANA
15850libgromacs_mpi.so.7 - pme_spread.cpp:633-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.2]InBetween0.010.020.014410.0006.2531162NANANANANA
15927libgromacs_mpi.so.7 - fft5d.cpp:943-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.020.01410.00012.041111.432NANANANANA
15855libgromacs_mpi.so.7 - pme_spread.cpp:186-988 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]InBetween0.010.020300.0017.1411.582.82126.392NANANANANA
2860libgromacs_mpi.so.7 - grid.cpp:415-420Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .isra.0]Single0.010.020.01270.0006.2511162NANANANANA
14035libgromacs_mpi.so.7 - stl_vector.h:1126-1289 [...]gmx::lincs_thread_setup(gmx::Lincs*, int) [clone ._omp_fn.1]Innermost0.010.020290.0009.721115.112NANANANANA
3732libgromacs_mpi.so.7 - pairlist.cpp:1991-1995PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.020.01390.0009.051112.752NANANANANA
3727libgromacs_mpi.so.7 - pairlist.cpp:3207-3238 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.020290.0010.268.171.491.1715.162NANANANANA
15543libgromacs_mpi.so.7 - manage_threading.cpp:127-170 [...]divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)InBetween0.010.440.0110.0008.681114.731NANANANANA
3731libgromacs_mpi.so.7 - pairlist.cpp:1981-1985PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.030.01370.0008.931113.333NANANANANA
3686libgromacs_mpi.so.7 - stl_vector.h:990-1289 [...]rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone ._omp_fn.0]Innermost0.010.040.01370.0016.2312.54.0818.8342.50.5120.5
5134libgromacs_mpi.so.7 - threaded_force_buffer.cpp:122-122 [...]gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)Single0.010.010270.0010025114101000
5138libgromacs_mpi.so.7 - threaded_force_buffer.cpp:278-278 [...]gmx::ThreadedForceBuffer<float [4]>::setupReduction()Innermost0.010.340.0110.00012.5118110213
3737libgromacs_mpi.so.7 - stl_algobase.h:262-262 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.010.020.01450.0009.232.28114.32NANANANANA
13974libgromacs_mpi.so.7 - lincs.cpp:1255-1353 [...]gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone ._omp_fn.0]InBetween0.010.020.01374.009.5210.421.973.0415.562NANANANANA
3742libgromacs_mpi.so.7 - pairlist.cpp:2922-3472 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.010.020.013933.007.697.511.432.124.222NANANANANA
15535libgromacs_mpi.so.7 - threaded_force_buffer.h:110-110 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0]InBetween0.010.020.01440.00011.91113.312NANANANANA
15731libgromacs_mpi.so.7 - pme_grid.cpp:502-504unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.010.470.0110.0006.251116102000
5088libgromacs_mpi.so.7 - threaded_force_buffer.cpp:178-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Outermost0.010.020.014631.0021.7411.722.092.7319.592NANANANANA
15478libgromacs_mpi.so.7 - bonded.cpp:2290-2327 [...]float (anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*, t_oriresdata*, in...Single0.010.040.012544.0007.841.942.3114.05421010
15474libgromacs_mpi.so.7 - bonded.cpp:1996-2008 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...Innermost0.010.020.01378.0006.9121.1914.4211010
14020libgromacs_mpi.so.7 - lincs.cpp:1936-1962 [...]gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone ._omp_fn.0]InBetween0.010.020.01350.0009.672.79133.912NANANANANA
15924libgromacs_mpi.so.7 - fft5d.cpp:789-1407 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.010.030.01430.0008.259.417.833NANANANANA
15806libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020.01491224.00100100111202100
15472libgromacs_mpi.so.7 - bonded.cpp:2960-3032 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...Single0.010.030210.0026.3210.611.833.6913.26321020
3740libgromacs_mpi.so.7 - pairlist.cpp:607-1332 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.030.01410.0006.2511163NANANANANA
15436libgromacs_mpi.so.7 - bonded.cpp:2185-2213std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Innermost0.010.050.01298.0006.251.91165100110
14004libgromacs_mpi.so.7 - lincs.cpp:1098-1098 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Single0.010.020.013496.00100100111201400
15883libgromacs_mpi.so.7 - pme_spread.cpp:71-918 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.0]Outermost0.010.030260.002.948.922.83114.723NANANANANA
2752libgromacs_mpi.so.7 - atomdata.cpp:1149-1268 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0]Outermost0.010.010230.0006.441.972.2215.771NANANANANA
13999libgromacs_mpi.so.7 - lincs.cpp:919-1173 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...InBetween0.010.020.013132.0066.2361.381.9311.192NANANANANA
3728libgromacs_mpi.so.7 - pairlist.cpp:3238-3267PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.020270.002.446.861.751.2115.742NANANANANA
13595libgromacs_mpi.so.7 - constr.cpp:592-607 [...]gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)...Single0.010.020290.0028.1415.063.4117.1823000.333
3794libgromacs_mpi.so.7 - stl_algobase.h:918-919std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>...Single0.010.030.01370.0010025114301000
13996libgromacs_mpi.so.7 - lincs.cpp:1215-1223gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.010.030.015199.003.036.821116311300
2252libgromacs_mpi.so.7 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.010.020.0142992.0097.389.811.0211.01231113
4259libgromacs_mpi.so.7 - ga2la.h:112-126 [...]dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone ._omp_fn.0]InBetween0.010.020280.0006.2511162NANANANANA
15926libgromacs_mpi.so.7 - fft5d.cpp:939-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.020270.00010.274.33113.092NANANANANA
15519libgromacs_mpi.so.7 - listed_forces.cpp:419-445 [...]calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdatoms const*, t_fcdata...Innermost0.010.020.01290.0007.377.385.4444.522NANANANANA
2871libgromacs_mpi.so.7 - grid.cpp:816-866 [...]Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)Outermost0.010.020260.0007.163.91115.452NANANANANA
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