options

Loops Index

152 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
1064libgromacs_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*)Innermost18.5312.7810.16522300.8492.2185.88111.021.2920123
1062libgromacs_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*)Innermost6.959.863.81522374.6893.8387.73111.022.6620123
15455libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost5.623.63.08520.0091.6723.441.0716.611.200002
15354libgromacs_mpi.so.7 - pme_spread.cpp:635-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]InBetween4.22.522.315210.3958.8263.62.4611.11.13NANANANANA
15113libgromacs_mpi.so.7 - pme_gather.cpp:94-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost3.782.572.0752484.7764.4239.21.721.071.411.27NANANANANA
1071libgromacs_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*)Innermost2.751.951.51522655.0088.8485.03111.011.3320123
13345libgromacs_mpi.so.7 - lincs.cpp:270-287 [...]gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)InBetween2.611.811.4352103.4155.6533.371.381.111.431.310060
15382libgromacs_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 .extracted.11]InBetween1.771.270.9752203.1263.6425.992.062.331.431.34NANANANANA
15448libgromacs_mpi.so.7 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost1.681.040.92520.0083.3321.881.0917.271.1700002
1757libgromacs_mpi.so.7 - kernel_common.cpp:56-76 [...]clearForceBuffer(nbnxn_atomdata_t*, int)Single1.541.210.85520.0088.8973.611111.48NANANANANA
15388libgromacs_mpi.so.7 - pme_spread.cpp:277-975 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween1.431.10.7952203.8449.3215.841.042.147.121.43NANANANANA
1069libgromacs_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*)Innermost1.061.440.58522772.6990.3286.69111.012.5320123
1065libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.910.720.5521693.2889.6883.721.0411.021.4721133
13350libgromacs_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])Single0.80.840.445275.0527.7811.111.121.5810.541.9501061
15406libgromacs_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 .extracted.18]Innermost0.770.520.425266.9306.451.372.2215.741.2714109
15374libgromacs_mpi.so.7 - pme_spread.cpp:441-447spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween0.770.540.42520.0026.7127.72.0811.721.321.67002.670
13583libgromacs_mpi.so.7 - settle.cpp:423-423 [...]gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...Single0.760.570.4252262.1098.2393.871.0111.011.39303036
15276libgromacs_mpi.so.7 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.720.470.395297.8590.9126.141.091.765.241.2401001
1063libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.710.910.39522056.4190.7685.031.0311.022.3921052
15375libgromacs_mpi.so.7 - pme_spread.cpp:445-447spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]Innermost0.670.510.37520.00100501121.4202000
1060libgromacs_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*)Innermost0.610.50.34511680.2497.886.95111.031.5220122
1059libgromacs_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*)Outermost0.60.590.3352628.7358.6435.71.421.021.541.84NANANANANA
14760libgromacs_mpi.so.7 - bonded.cpp:2066-2126 [...]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*,...Single0.570.430.3152611.6169.7255.291.2511.41.39NANANANANA
14751libgromacs_mpi.so.7 - bonded.cpp:1151-1170 [...]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*...Single0.550.470.352350.6780.5150.231.141.031.461.57NANANANANA
1543libgromacs_mpi.so.7 - kernel_prune.cpp:109-149 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.530.360.29521915.5985.7179.761.111.031.2401020
1623libgromacs_mpi.so.7 - atomdata.cpp:1122-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.480.470.265147.381001001111.8101001
13719libgromacs_mpi.so.7 - update.cpp:481-481 [...]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...Single0.460.370.255299.841001001.12111.4805000
1626libgromacs_mpi.so.7 - atomdata.cpp:1207-1211 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.450.330.255230.72011.311110.51.38NANANANANA
3185libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:130-174 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.390.260.2152181.1970.4839.511.391.341.741.242.5001.50
14979libgromacs_mpi.so.7 - pairs.cpp:863-884 [...]void do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)Single0.380.270.2152192.3862.0735.361.251.031.71.35NANANANANA
4536libgromacs_mpi.so.7 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.360.340.2520.0088.8990.281111.7911000
3180libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:130-242 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.330.230.185292.1713.4810.362.812.8823.041.28NANANANANA
13734libgromacs_mpi.so.7 - update.cpp:1637-1641 [...]gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]Single0.320.240.17520.0009.381110.671.4120210
13337libgromacs_mpi.so.7 - lincs.cpp:798-810 [...]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...Single0.310.280.1752158.1299.0184.281.0111.061.75150014
1554libgromacs_mpi.so.7 - atomdata.cpp:226-233copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.290.380.16350.0006.621.54115.591.6511030
1624libgromacs_mpi.so.7 - atomdata.cpp:1122-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.240.340.134820.921001001112.4301002
87gmx_mpi - __intel_avx_rep_memcpySingle0.220.170.12520.00100501121.4202000
3191libgromacs_mpi.so.7 - pairlist.cpp:3407-3409PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.190.160.1527.307.147.591.111.31141.610100
13336libgromacs_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...Innermost0.190.150.15250.5006.2511.13161.513010
1616libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]Innermost0.190.150.115239.1806.251.381.81161.502001
15399libgromacs_mpi.so.7 - pme_spread.cpp:172-174spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]Innermost0.190.170.11520.0006.2511161.701112
13330libgromacs_mpi.so.7 - lincs.cpp:919-931 [...]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...Innermost0.170.160.0952163.5696.8380.46111.141.7804008
4478libgromacs_mpi.so.7 - threaded_force_buffer.cpp:209-211 [...]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...Innermost0.150.140.085254.634012.512111.7511001
15274libgromacs_mpi.so.7 - pme_solve.cpp:234-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.120.120.0752458.5758.7345.42.371.051.42NANANANANA
15190libgromacs_mpi.so.7 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]Innermost0.120.130.07520.0006.2511161.8602000
15454libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.120.180.07480.00012.51182.5700020
3184libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:185-229 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.120.090.0752216.5773.6140.571.351.341.741.52.5001.50
1070libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.110.170.06522361.3487.3984.21.0211.012.8331132
1072libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.110.120.06522586.6787.1383.781.0211.01231132
4477libgromacs_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...InBetween0.10.120.055278.60010.423.17113.252.42.5003.250.5
3183libgromacs_mpi.so.7 - pairlist.cpp:152-934 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.10.110.0652101.506.78.81118.432.220.5022
1061libgromacs_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*)Innermost0.090.10.05491232.0095.8385.68111.03221042
1622libgromacs_mpi.so.7 - atomdata.cpp:1119-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]InBetween0.090.160.054928.8028.5736.612.6311.273.2NANANANANA
4479libgromacs_mpi.so.7 - threaded_force_buffer.cpp:209-211 [...]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...Innermost0.090.140.055065.804012.511.859.472.811004
13584libgromacs_mpi.so.7 - settle.cpp:423-423 [...]gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...Single0.090.090.0552275.2098.1494.531.0111.011.8303030
1066libgromacs_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*)Outermost0.090.090.0552573.4064.6643.071.351.061.471.8NANANANANA
15279libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.120.04521800.00100100111303000
14807libgromacs_mpi.so.7 - vec.h:141-335 [...]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...Single0.080.120.0452241.5022.679.831.192.1210320050.5
13335libgromacs_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...Outermost0.080.080.055254.0007.291.792.1115.092NANANANANA
4482libgromacs_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...Innermost0.080.080.05526.00011.671110.51.6NANANANANA
1067libgromacs_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*)Innermost0.080.10.05501787.2099.1790.89111.02220122
15394libgromacs_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 .extracted.11]InBetween0.080.090.04520.0042.8633.932.3411.262.25NANANANANA
13718libgromacs_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...Single0.070.080.0452107.2535.2912.871.351.719.74201510
3176libgromacs_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 .extracted.68]InBetween0.060.050.03520.0007.391115.31.67NANANANANA
1621libgromacs_mpi.so.7 - atomdata.cpp:1109-1111 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.060.310.031942.671001001113.4401001
3665libgromacs_mpi.so.7 - stl_vector.h:378-1936 [...]dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted]InBetween0.060.060.03510.0007.911116.52NANANANANA
1620libgromacs_mpi.so.7 - atomdata.cpp:1109-1111 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.060.360.041520.00100100111301001
13414libgromacs_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 .extracted]Innermost0.050.050.0352259.002013.571.321.88.891.67NANANANANA
3192libgromacs_mpi.so.7 - pairlist.cpp:3392-3394PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.050.040.035222.0006.251.111.25161.3310100
15453libgromacs_mpi.so.7 - fft5d.cpp:880-1166 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.050.050.02520.0007.21.81115.352.520010
14817libgromacs_mpi.so.7 - bonded.cpp:1913-2008 [...]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...Innermost0.050.050.035227.0027.381.331.5214.71.6720031
3161libgromacs_mpi.so.7 - pairlist.cpp:152-3996 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.050.070.035217.3317.6516.543.081.031.442.33NANANANANA
14978libgromacs_mpi.so.7 - vec.h:141-345 [...]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>, ...Single0.050.060.0352135.0015.929.221.861.9721.882NANANANANA
1618libgromacs_mpi.so.7 - atomdata.cpp:1053-1223 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]InBetween0.040.050.0251160.003.79.841130.692.5NANANANANA
15286libgromacs_mpi.so.7 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.040.0252264.0096.363.431.0611.21202002
15152libgromacs_mpi.so.7 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Outermost0.040.040.02500.0038.128.272.711.292NANANANANA
14761libgromacs_mpi.so.7 - bonded.cpp:2179-2256 [...]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*...Outermost0.040.120.0233538.0090.5587.571.0211430240
15278libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.050.02523576.011001001112.503000
14816libgromacs_mpi.so.7 - bonded.cpp:1913-2011 [...]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...Outermost0.030.040.015172.005.8810.668.36114.154NANANANANA
13621libgromacs_mpi.so.7 - sim_util.cpp:149-150 [...]sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]Single0.030.050.025025.0028.5711.611.061.139.382.500200
15353libgromacs_mpi.so.7 - pme_spread.cpp:633-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]InBetween0.030.050.024516.00010.711111.292.5NANANANANA
15283libgromacs_mpi.so.7 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.030.0152349.0093.3393.75111303000
3801libgromacs_mpi.so.7 - stl_vector.h:378-1899 [...]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:...InBetween0.030.040.01500.00010.831131.144NANANANANA
13332libgromacs_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...Innermost0.030.050.024648.001001001112.504000
3167libgromacs_mpi.so.7 - pairlist.cpp:1981-1985 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.020.040.01440.0006.731115.614NANANANANA
3177libgromacs_mpi.so.7 - pairlist.cpp:607-1326 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.020.030.01440.0006.251116300001
15170libgromacs_mpi.so.7 - pme_grid.cpp:502-504unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.020.420.0110.0006.251116102000
3181libgromacs_mpi.so.7 - pairlist.cpp:3008-3008 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.020.040.01510.005018.75215.33401100
15412libgromacs_mpi.so.7 - fft.cpp:115-123gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)Single0.020.030.0152952.000101114.86310000
3179libgromacs_mpi.so.7 - pairlist.cpp:152-3996 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.020.030.014728.0014.819.781.461.7115.613NANANANANA
4476libgromacs_mpi.so.7 - threaded_force_buffer.cpp:170-211 [...]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...Outermost0.020.040.014137.007.149.62.913.6613.764NANANANANA
3809libgromacs_mpi.so.7 - hashedmap.h:274-281 [...]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...Outermost0.020.040.01370.005.268.724.72122.864NANANANANA
15195libgromacs_mpi.so.7 - pme_grid.cpp:520-522unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30]Innermost0.020.030.01480.0006.251116302000
1542libgromacs_mpi.so.7 - kernel_prune.cpp:76-158 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.020.040.01501664.0019.920.811.5112.07410.67031
1625libgromacs_mpi.so.7 - atomdata.cpp:1207-1211 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.020.040.01420.00011.98119.8541.510.500
3230libgromacs_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>...Single0.020.030.01390.00012.5118310100
12783libgromacs_mpi.so.7 - calcvir.cpp:61-67 [...]calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted]Innermost0.020.030.0151362.0055.562511.833.76300200
14765libgromacs_mpi.so.7 - bonded.cpp:196-2327 [...]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...Single0.020.070.012991.001.719.2422.5113.653.520020
15281libgromacs_mpi.so.7 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.030.01522384.0093.3393.75111.08303000
3160libgromacs_mpi.so.7 - pairlist.cpp:152-3996 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.020.030.014713.0016.0711.051.481.712.193NANANANANA
14762libgromacs_mpi.so.7 - bonded.cpp:2185-2213 [...]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*...Innermost0.020.090.01348.009.389.041.26111.074.50010.51.5
15285libgromacs_mpi.so.7 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.030.01501216.0010090.32111.14306000
13420libgromacs_mpi.so.7 - mdatoms.cpp:327-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]Outermost0.020.030.01470.009.38.891.842.917.643NANANANANA
3210libgromacs_mpi.so.7 - stl_vector.h:1280-1289 [...]rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]Innermost0.020.030.01510.00011.11119.82331000.5
3793libgromacs_mpi.so.7 - localtopology.cpp:103-700 [...]int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...Outermost0.010.020.01390.0009.381114.052NANANANANA
15413libgromacs_mpi.so.7 - fft.cpp:132-140gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)Single0.010.020.0147976.000101114.86210000
14925libgromacs_mpi.so.7 - manage_threading.cpp:144-146setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)Innermost0.010.24010.00012.5118101001
3647libgromacs_mpi.so.7 - ga2la.h:112-126 [...]atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)InBetween0.010.16010.00010.026.92119.391NANANANANA
4541libgromacs_mpi.so.7 - threaded_force_buffer.cpp:278-278 [...]gmx::ThreadedForceBuffer<float [4]>::setupReduction()Innermost0.010.340.0110.00100251.514111002
1696libgromacs_mpi.so.7 - grid.cpp:823-834Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)Innermost0.010.020190.0007.221115.11201002
81gmx_mpi - quicksortInnermost0.010.040.01354.0012.514.061.4417.4410.50.500.5
3812libgromacs_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...InBetween0.010.020220.0008.331115.362NANANANANA
3193libgromacs_mpi.so.7 - pairlist.cpp:279-283PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.010.020400.0006.2512.2916210000
15372libgromacs_mpi.so.7 - pme_spread.cpp:188-988 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]Outermost0.010.020.01310.0020.5922.73.491.581.332NANANANANA
1701libgromacs_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>)Single0.010.020.01280.0006.621115.522NANANANANA
14915libgromacs_mpi.so.7 - utilities.h:56-57 [...]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...InBetween0.010.020310.0011.7613.053.331.047.842NANANANANA
4523libgromacs_mpi.so.7 - threaded_force_buffer.cpp:122-122 [...]gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)Single0.010.020270.0010025114201000
1068libgromacs_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*)Innermost0.010.020400.0096.8389.09111.02231122
1619libgromacs_mpi.so.7 - atomdata.cpp:1106-1111 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]InBetween0.010.050.011516.0040.8346.382.511.132.500.50.51.750
1699libgromacs_mpi.so.7 - grid.cpp:1068-1087 [...]Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t*, gmx::Range<int>, gmx::ArrayRef<int>)Innermost0.010.020250.0017.3911.962.5618.36221101
13364libgromacs_mpi.so.7 - lincs.cpp:1705-1715 [...]gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted]Innermost0.010.020320.00011.98119.9221003.67
4535libgromacs_mpi.so.7 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.010.020360.0088.8990.28111211000
13369libgromacs_mpi.so.7 - lincs.cpp:1255-1324 [...]gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]InBetween0.010.020250.0007.342.082.5314.772NANANANANA
4078libgromacs_mpi.so.7 - vec.h:141-198 [...]dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted]InBetween0.010.020260.0017.079.641.942.4319.222NANANANANA
80gmx_mpi - quicksortOutermost0.010.010300.0044.4416.671.3819.78110120
15289libgromacs_mpi.so.7 - pme_solve.cpp:473-475solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020370.00100100111002000
13334libgromacs_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...Single0.010.010250.001001001.0611103000
3669libgromacs_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 .extracted]InBetween0.010.030.01320.0007.031115.573NANANANANA
15446libgromacs_mpi.so.7 - fft5d.cpp:943-1166 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.020.01360.0008.921.61114.32220010
15288libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020390.00100100111003000
4480libgromacs_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...Innermost0.010.040.013435.0028.5711.611.061.069.6400200
13329libgromacs_mpi.so.7 - lincs.cpp:798-1173 [...]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...Outermost0.010.020230.0025.9325.142.2511.642NANANANANA
15189libgromacs_mpi.so.7 - pme_grid.cpp:535-539unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]InBetween0.010.010280.00011.251111.431NANANANANA
14924libgromacs_mpi.so.7 - manage_threading.cpp:125-162 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)InBetween0.010.260.0110.0008.931114.221NANANANANA
13326libgromacs_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...Single0.010.020.014893.0006.251116212100
15397libgromacs_mpi.so.7 - pme_spread.cpp:75-918 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]Outermost0.010.020220.0017.7615.712.8211.312NANANANANA
3797libgromacs_mpi.so.7 - localtopology.cpp:737-787 [...]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:...Outermost0.010.020270.0009.451133.862NANANANANA
15395libgromacs_mpi.so.7 - pme_spread.cpp:197-199spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]Innermost0.010.020240.0010050112202000
14939libgromacs_mpi.so.7 - manage_threading.cpp:365-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]Innermost0.010.020.01400.00012.5118201010
15443libgromacs_mpi.so.7 - fft5d.cpp:789-1407 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.010.030.01360.002.788.649.4217.493NANANANANA
14818libgromacs_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...Single0.010.040250.0038.6113.991.821.717.91420040
1704libgromacs_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>)Outermost0.010.020220.00073.553.2915.342NANANANANA
15373libgromacs_mpi.so.7 - pme_spread.cpp:439-447spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween0.010.020.01370.00012.071110.0321.75001.50
14914libgromacs_mpi.so.7 - utilities.h:56-57 [...]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...Innermost0.010.020260.00011.551111.432001.6700
4007libgromacs_mpi.so.7 - hashedmap.h:144-204 [...]make_dd_indices(gmx_domdec_t*, int)InBetween0.010.18010.00010.21120.381NANANANANA
3175libgromacs_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 .extracted.68]InBetween0.010.020.01390.0008.331115.272NANANANANA
3209libgromacs_mpi.so.7 - stl_vector.h:1280-1289 [...]rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]Innermost0.010.040.01270.0022.514.33.62110.39430.5120.5
13366libgromacs_mpi.so.7 - stl_vector.h:378-1899 [...]gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52]Innermost0.010.030.01390.00011.761113.193NANANANANA
15351libgromacs_mpi.so.7 - pme_spread.cpp:556-702 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]InBetween0.010.020250.0009.071110.552NANANANANA
15352libgromacs_mpi.so.7 - pme_spread.cpp:574-702 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]InBetween0.010.020260.0014.0517.946.8111.232NANANANANA
3165libgromacs_mpi.so.7 - pairlist.cpp:1991-1995 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.010.020.01420.0006.511115.672NANANANANA
3092libgromacs_mpi.so.7 - pairlist.cpp:3543-3543 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*)Innermost0.010.15010.00100251.0614102000
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