options

Loops Index

183 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
1019libgromacs_mpi.so.7 - kernel_outer.h:590-590 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost17.7213.7210523869.011001001111.3920124
1017libgromacs_mpi.so.7 - kernel_outer.h:608-608 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost7.199.214.06523648.631001001112.320124
23109libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost5.294.742.98520.000251141.6100030
2755libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]void _INTERNALd02aa166::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)Innermost2.812.711.59520.00021.88115.331.7401000
1026libgromacs_mpi.so.7 - kernel_outer.h:590-590 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost2.812.151.59524172.311001001111.3820124
22649libgromacs_mpi.so.7 - pme_gather.cpp:156-169 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Innermost2.011.771.1452767.9288.8979.17111.081.5802040
23002libgromacs_mpi.so.7 - pme_spread.cpp:445-447L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_13Single1.541.390.87522.91012.51181.6202000
23028libgromacs_mpi.so.7 - pme_spread.cpp:639-641_INTERNALef3c2910::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)Innermost1.312.020.74523.33012.51182.7702000
23004libgromacs_mpi.so.7 - pme_spread.cpp:104-145 [...]_INTERNALef3c2910::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)Single1.230.970.695267.313.1313.671.341.981.4314107
23046libgromacs_mpi.so.7 - pme_spread.cpp:331-400 [...]_INTERNALef3c2910::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)Outermost1.21.080.6852527.7360.8736.961.771.573.781.61NANANANANA
1024libgromacs_mpi.so.7 - kernel_outer.h:608-608 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.181.580.67523931.401001001112.3920124
23034libgromacs_mpi.so.7 - pme_spread.cpp:275-292 [...]_INTERNALef3c2910::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)Outermost1.120.990.6352396.0026.6222.321.231.776.61.57NANANANANA
22650libgromacs_mpi.so.7 - pme_gather.cpp:76-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost0.980.950.5552821.5533.3327.472.211.495.71.76NANANANANA
73gmx_mpi - __intel_avx_rep_memcpySingle0.840.870.47523.1910010011.51.51.8502000
2252libgromacs_mpi.so.7 - atomdata.cpp:1122-1221 [...]L__ZN17_INTERNAL95fec57337nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_60Innermost0.830.920.475027.251001001111.9201001
1020libgromacs_mpi.so.7 - kernel_outer.h:584-587 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.780.650.44523881.5698.9699.131111.5120172
23027libgromacs_mpi.so.7 - pme_spread.cpp:585-641 [...]_INTERNALef3c2910::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween0.750.850.42523.62015.972.333.357.632.02NANANANANA
1018libgromacs_mpi.so.7 - kernel_outer.h:602-605 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.70.90.4523695.0699.0599.171112.3131142
19734libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]_INTERNAL661916bb::gmx::lincs_update_atoms_ind(_INTERNAL661916bb::gmx::ArrayRef<int const>, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb:...Single0.680.550.385291.6701311.1481.4501070
2237libgromacs_mpi.so.7 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.640.750.36360.00012.51181.4701600
1498libgromacs_mpi.so.7 - kernel_prune.cpp:115-169 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.630.490.35522401.9093.1894.031.061.331.41.410111
19727libgromacs_mpi.so.7 - lincs.cpp:282-284_INTERNAL661916bb::gmx::lincs_matrix_expand(_INTERNAL661916bb::gmx::Lincs const&, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<float>, _INTERNAL661916bb::gmx::Array...Innermost0.60.570.345264.54012.512.9181.7302001
1014libgromacs_mpi.so.7 - stl_iterator.h:806-887 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.550.550.31523804.6077.3878.511.11.161.381.77NANANANANA
20506libgromacs_mpi.so.7 - update.cpp:1637-1641 [...]L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_160Single0.530.430.3520.00018.75115.331.4800200
19726libgromacs_mpi.so.7 - lincs.cpp:276-287_INTERNAL661916bb::gmx::lincs_matrix_expand(_INTERNAL661916bb::gmx::Lincs const&, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<float>, _INTERNAL661916bb::gmx::Array...InBetween0.510.520.295267.052528.692.371.031.431.79NANANANANA
1015libgromacs_mpi.so.7 - kernel_outer.h:624-624 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.470.50.26523458.681001001111.9220123
2250libgromacs_mpi.so.7 - atomdata.cpp:1207-1211 [...]L__ZN17_INTERNAL95fec57337nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_60Innermost0.430.40.245238.41019.93116.631.6710.50.510
23116libgromacs_mpi.so.7 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.410.340.23520.0033.3333.331.3313.61.4801020
22146libgromacs_mpi.so.7 - bonded.cpp:1151-1255 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.390.320.2252515.8272.1468.851.511.221.45NANANANANA
20236libgromacs_mpi.so.7 - settle.cpp:423-649 [...]void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const*, true, false>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...Single0.370.320.2152376.1196.5688.411.1211.081.6200160
20503libgromacs_mpi.so.7 - update.cpp:481-481 [...]std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNALf921b9f2::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...Single0.360.350.2152170.3110098.28111.041.7505000
23030libgromacs_mpi.so.7 - pme_spread.cpp:639-641_INTERNALef3c2910::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)Innermost0.360.370.2525.78100501121.8502000
23005libgromacs_mpi.so.7 - pme_spread.cpp:172-174_INTERNALef3c2910::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)Single0.340.30.19522.99012.51181.5801013
5944libgromacs_mpi.so.7 - stl_algobase.h:695-695gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Innermost0.320.380.18520.001001001222.1101000
19735libgromacs_mpi.so.7 - lincs.cpp:798-828 [...]_INTERNAL661916bb::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...Single0.270.250.1652235.5191.9170.771.3311.191.67102390
2754libgromacs_mpi.so.7 - kernel_common.cpp:54-78 [...]void _INTERNALd02aa166::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)Outermost0.240.220.14520.00022.92116.481.57NANANANANA
22435libgromacs_mpi.so.7 - pairs.cpp:863-894 [...]void _INTERNAL251c4d10::do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)Single0.230.240.1352436.8254.8842.911.5811.381.85NANANANANA
5825libgromacs_mpi.so.7 - threaded_force_buffer.cpp:209-211 [...]L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134Innermost0.230.410.135225.96012.512.8883.1501001
3305libgromacs_mpi.so.7 - pairlist_simd_4xm.h:136-195 [...]_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.210.180.1252272.6476.7159.011.091.151.471.53100.50
2251libgromacs_mpi.so.7 - atomdata.cpp:1119-1221 [...]L__ZN17_INTERNAL95fec57337nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_60InBetween0.190.430.114630.765059.381.1711.13.5804000
19719libgromacs_mpi.so.7 - lincs.cpp:1087-1089 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Innermost0.180.160.152109.81012.511.4210.221.613010
22155libgromacs_mpi.so.7 - bonded.cpp:2059-2126 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...Single0.170.150.09521058.0432.8437.751.781.031.831.67NANANANANA
3281libgromacs_mpi.so.7 - pairlist.cpp:3407-3411void _INTERNALb629d8fd::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...Innermost0.150.140.0952240.07012.51.121.4281.7500100
2254libgromacs_mpi.so.7 - atomdata.cpp:1109-1221 [...]L__ZN17_INTERNAL95fec57337nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_60Innermost0.140.940.082228.731001001115.2201001
19730libgromacs_mpi.so.7 - lincs.cpp:919-931 [...]_INTERNAL661916bb::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)Single0.130.130.0752303.2091.375.361.321.021.171.86110131
1027libgromacs_mpi.so.7 - kernel_outer.h:584-587 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.130.130.08523896.2799.2999.41111.8620172
2245libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...]_INTERNAL95fec573::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])Single0.120.110.075252.25012.51.11181.5702010
20303libgromacs_mpi.so.7 - sim_util.cpp:473-473 [...]L__ZN17_INTERNAL14e05f8917setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_145Single0.120.110.07520.00012.511.5121.5701000
22430libgromacs_mpi.so.7 - pairs.cpp:125-824 [...]float _INTERNAL251c4d10::do_pairs_general<(BondedKernelFlavor)2>(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>, gm...Single0.110.110.0652139.846.5716.461.511.268.441.83NANANANANA
1025libgromacs_mpi.so.7 - kernel_outer.h:602-605 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.110.160.06524544.5999.3899.461112.6731142
22218libgromacs_mpi.so.7 - bonded.cpp:129-2011 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...Outermost0.10.140.0652115.132.4314.811.151.126.862.33NANANANANA
5822libgromacs_mpi.so.7 - threaded_force_buffer.cpp:182-187 [...]L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134Innermost0.10.090.065228.385036.461.7114.661.52101.50
3280libgromacs_mpi.so.7 - pairlist.cpp:2966-3474 [...]void _INTERNALb629d8fd::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.10.130.0652255.293.5715.481.771.547.492.17NANANANANA
1021libgromacs_mpi.so.7 - stl_iterator.h:806-887 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.10.090.05524121.9572.2772.361.121.11.391.8NANANANANA
5824libgromacs_mpi.so.7 - threaded_force_buffer.cpp:207-211 [...]L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134InBetween0.090.130.055228.58012.511.1882.6NANANANANA
1022libgromacs_mpi.so.7 - kernel_outer.h:624-624 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.080.10.05512706.21100100111220123
22994libgromacs_mpi.so.7 - pme_spread.cpp:441-445L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15Innermost0.080.10.05523.38017.31117.5210000
22373libgromacs_mpi.so.7 - manage_threading.cpp:365-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)Innermost0.080.080.04520.00025114201001
1016libgromacs_mpi.so.7 - kernel_outer.h:618-621 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.060.070.03513730.7599.0799.191112.3331123
22997libgromacs_mpi.so.7 - pme_spread.cpp:197-199L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15Innermost0.060.070.04520.0010010011.51.52.3302000
19831libgromacs_mpi.so.7 - md_support.cpp:139-157 [...]L__ZN17_INTERNAL7742301e19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_15Innermost0.060.060.0352413.051.7514.091.11.259.742NANANANANA
23026libgromacs_mpi.so.7 - pme_spread.cpp:585-641 [...]_INTERNALef3c2910::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween0.060.10.03504.00012.51182.5NANANANANA
23106libgromacs_mpi.so.7 - fft5d.cpp:835-886 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.060.070.03500.00017.46117.312.33NANANANANA
3304libgromacs_mpi.so.7 - pairlist_simd_4xm.h:204-262 [...]_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.060.060.0352290.0078.0359.221.061.151.4723000.51
23029libgromacs_mpi.so.7 - pme_spread.cpp:639-641_INTERNALef3c2910::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)Innermost0.050.110.03496.79012.51183.6702000
22209libgromacs_mpi.so.7 - bonded.cpp:445-1084 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...Single0.050.060.0352132.386.4616.5811.797.16220160
23000libgromacs_mpi.so.7 - pme_spread.cpp:197-199L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15Innermost0.050.060.03510.00012.5118202000
22996libgromacs_mpi.so.7 - pme_spread.cpp:188-199 [...]L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15InBetween0.050.040.03520.00017.5117.41.33NANANANANA
22910libgromacs_mpi.so.7 - pme_solve.cpp:234-238 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.050.060.03521827.771001001.1211223000
22906libgromacs_mpi.so.7 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.050.060.03521832.6510070.83111.56202000
22904libgromacs_mpi.so.7 - pme_solve.cpp:98-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.040.060.02522073.4613.520.831.921.721.553NANANANANA
22993libgromacs_mpi.so.7 - pme_spread.cpp:438-990 [...]L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15InBetween0.040.10.02501.69014.73117.36510000
20455libgromacs_mpi.so.7 - update.cpp:361-387 [...]_INTERNALf921b9f2::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short...Single0.040.050.0252204.19012.51.051.078.22.506010
20235libgromacs_mpi.so.7 - settle.cpp:423-674 [...]void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const*, true, true>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*,...Single0.040.060.0252566.7699.2891.341.1811.063200180
19718libgromacs_mpi.so.7 - lincs.cpp:1085-1089 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Outermost0.040.050.0252148.50012.51.722.1582.5NANANANANA
2236libgromacs_mpi.so.7 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.030.050.02350.00012.51182.501200
22933libgromacs_mpi.so.7 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.040.0252806.7015.7918.421210.67217000
22717libgromacs_mpi.so.7 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.030.050.01420.00012.51182.502000
23113libgromacs_mpi.so.7 - fft5d.cpp:899-949 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.030.040.02520.00014.42117.862NANANANANA
22912libgromacs_mpi.so.7 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.050.02521275.521001001112.503000
18947libgromacs_mpi.so.7 - calcvir.cpp:61-81 [...]_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0Innermost0.030.040.0252238.32012.511821.50200
4495libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]void _INTERNALd64f4cfb::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> &g...InBetween0.030.040.02490.00022.191112.22NANANANANA
22932libgromacs_mpi.so.7 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.040.02521510.8314.2917.861210.67417000
22916libgromacs_mpi.so.7 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.040.02521711.33100100111203000
3315libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)InBetween0.030.040.0252277.50013.16117.844NANANANANA
3282libgromacs_mpi.so.7 - pairlist.cpp:3392-3396void _INTERNALb629d8fd::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...Innermost0.020.030.0152371.00012.51.121.428300100
3453libgromacs_mpi.so.7 - pairlist.cpp:3624-3626 [...]void _INTERNALb629d8fd::copySelectedListRange<false>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)InBetween0.020.030.01470.00022.12116.573NANANANANA
22995libgromacs_mpi.so.7 - pme_spread.cpp:441-445L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15Innermost0.020.020.01474.50015.63117.11210000
20301libgromacs_mpi.so.7 - sim_util.cpp:473-473 [...]L__ZN17_INTERNAL14e05f8917setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_147Single0.020.040.01510.00012.511.512401000
19746libgromacs_mpi.so.7 - lincs.cpp:1652-1658 [...]_INTERNAL661916bb::gmx::lincs_thread_setup(_INTERNAL661916bb::gmx::Lincs*, int)Innermost0.020.030.01470.00021.67117.053NANANANANA
4523libgromacs_mpi.so.7 - localtopology.cpp:416-576 [...]int _INTERNALd64f4cfb::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...Outermost0.020.040.01370.003.1519.714.1919.312NANANANANA
2248libgromacs_mpi.so.7 - atomdata.cpp:1053-1221 [...]L__ZN17_INTERNAL95fec57337nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_60InBetween0.020.030.015250.00521.093.1111.73NANANANANA
22156libgromacs_mpi.so.7 - bonded.cpp:2179-2256 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.020.080.0147877.6427.7235.751.881.062.428NANANANANA
22716libgromacs_mpi.so.7 - pme_grid.cpp:496-539 [...]unwrap_periodic_pmegrid(gmx_pme_t*, float*)InBetween0.020.030.01470.00013.16117.693NANANANANA
20295libgromacs_mpi.so.7 - sim_util.cpp:150-150 [...]_INTERNAL14e05f89::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa...Single0.020.040.015238.75012.5118402000
22999libgromacs_mpi.so.7 - pme_spread.cpp:197-199L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15Innermost0.020.040.01450.00012.5118402000
19838libgromacs_mpi.so.7 - mdatoms.cpp:328-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)InBetween0.020.020.01482.1319.8322.631.62.326.922NANANANANA
4263libgromacs_mpi.so.7 - domdec_constraints.cpp:234-282 [...]_INTERNALcd96ede4::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...Outermost0.010.010320.008.3324.31116.21NANANANANA
19760libgromacs_mpi.so.7 - lincs.cpp:1936-1962 [...]_INTERNAL661916bb::gmx::set_matrix_indices(_INTERNAL661916bb::gmx::Lincs*, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ListOfLists<int> const&, bool)Outermost0.010.020340.00022.09116.912NANANANANA
19716libgromacs_mpi.so.7 - lincs.cpp:1155-1155 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Innermost0.010.030.015250.8810010011.21.2304000
23094libgromacs_mpi.so.7 - fft5d.cpp:786-1420 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.010.020.015254.13016.281111.092NANANANANA
23017libgromacs_mpi.so.7 - pme_spread.cpp:523-702 [...]_INTERNALef3c2910::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween0.010.010300.00014.3117.481NANANANANA
3303libgromacs_mpi.so.7 - pairlist_simd_4xm.h:268-273 [...]_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.010.030.0152243.505.5618.75116.813NANANANANA
3447libgromacs_mpi.so.7 - pairlist.cpp:3624-3635 [...]void _INTERNALb629d8fd::copySelectedListRange<true>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)InBetween0.010.020.01310.00022.16116.472NANANANANA
22923libgromacs_mpi.so.7 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010520.0010080.43111.3003000
1497libgromacs_mpi.so.7 - kernel_prune.cpp:76-176 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.010.020520.0039.9948.861.2311.49011.53.500
20447libgromacs_mpi.so.7 - update.cpp:932-1813 [...]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...InBetween0.010.010420.0029.7528.52.991.595.471NANANANANA
3313libgromacs_mpi.so.7 - pairlist.cpp:3008-3008 [...]_INTERNALb629d8fd::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array<unsigned long, 2ul>*, int)Single0.010.020520.0002511.56001100
19710libgromacs_mpi.so.7 - lincs.cpp:1215-1223 [...]_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...Single0.010.010520.0041411.178.31022100
3293libgromacs_mpi.so.7 - pairlist.cpp:1991-1995_INTERNALb629d8fd::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.010.020.0152154.38012.51182010.7500
5943libgromacs_mpi.so.7 - stl_algobase.h:684-685gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.010.010230.00012.511.512101000
2575libgromacs_mpi.so.7 - grid.cpp:1462-1466 [...]Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*)Single0.010.17010.00012.5118111230
2622libgromacs_mpi.so.7 - grid.cpp:329-437 [...]_INTERNALbed727ba::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Outermost0.010.010270.00013.692.222.247.691NANANANANA
5823libgromacs_mpi.so.7 - threaded_force_buffer.cpp:200-200 [...]L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134Innermost0.010.040.014915.88012.5118400400
18872libgromacs_mpi.so.7 - calc_verletbuf.cpp:530-721 [...]_INTERNALcfff3329::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, float)Innermost0.010.410.011146.007.0518.2612.284.831NANANANANA
3294libgromacs_mpi.so.7 - pairlist.cpp:1981-1985_INTERNALb629d8fd::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.010.020.0152206.75012.51182010.7500
5919libgromacs_mpi.so.7 - threaded_force_buffer.cpp:122-122 [...]gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)Single0.010.030.01390.0002511.56301000
22359libgromacs_mpi.so.7 - listed_forces.cpp:419-445 [...]_INTERNAL115a3b1f::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_mdato...Innermost0.010.010520.0010.8125.423.811.365.140NANANANANA
19739libgromacs_mpi.so.7 - lincs.cpp:1255-1324 [...]_INTERNAL661916bb::gmx::set_lincs_matrix_task(_INTERNAL661916bb::gmx::Lincs*, _INTERNAL661916bb::gmx::Task*, _INTERNAL661916bb::gmx::ArrayRef<float const>, int*, int*)InBetween0.010.010440.004.7615.483.331.887.50NANANANANA
3278libgromacs_mpi.so.7 - pairlist.cpp:1954-3507 [...]void _INTERNALb629d8fd::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.010.010520.001.6917.373.581.786.870NANANANANA
4264libgromacs_mpi.so.7 - domdec_constraints.cpp:254-264 [...]_INTERNALcd96ede4::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...InBetween0.010.010220.00014.77117.361NANANANANA
5969libgromacs_mpi.so.7 - threaded_force_buffer.cpp:278-280 [...]gmx::ThreadedForceBuffer<float [4]>::setupReduction()Innermost0.010.280.0110.0033.3333.332.6713.2121003
4724libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]void _INTERNAL86d71067::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)Single0.010.19010.00017.5117.2101110
3279libgromacs_mpi.so.7 - pairlist.cpp:2966-3474 [...]void _INTERNALb629d8fd::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.010.020520.005.8815.071.412.1980NANANANANA
2625libgromacs_mpi.so.7 - grid.cpp:415-420_INTERNALbed727ba::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Single0.010.020260.00012.51182010.250.50
3316libgromacs_mpi.so.7 - pairlist.cpp:607-1332 [...]_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Innermost0.010.020.0152224.13012.5118200010
22220libgromacs_mpi.so.7 - bonded.cpp:129-3032 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...Single0.010.030.013581.755.2215.211.141.116.833NANANANANA
22380libgromacs_mpi.so.7 - manage_threading.cpp:127-170 [...]_INTERNALf6247ebc::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)InBetween0.010.17010.00012.51181NANANANANA
1023libgromacs_mpi.so.7 - kernel_outer.h:618-621 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.010.020.01511822.2799.3499.42111231123
23108libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.010.050.01320.00025114500020
22686libgromacs_mpi.so.7 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.010.020.01476.00017.19117.2210000
4530libgromacs_mpi.so.7 - localtopology.cpp:505-513 [...]int _INTERNALd64f4cfb::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...InBetween0.010.020260.00012.511820.672020
23003libgromacs_mpi.so.7 - pme_spread.cpp:911-923 [...]L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_13Single0.010.010240.00013.97118120000
3314libgromacs_mpi.so.7 - pairlist.cpp:607-1420 [...]_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Outermost0.010.020.0152191.25018.06117.22NANANANANA
22159libgromacs_mpi.so.7 - bonded.cpp:1822-2327 [...]float _INTERNAL72b35b0f::(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*...Single0.010.040.0139135.633.9516.591.221.336.87421130
22998libgromacs_mpi.so.7 - pme_spread.cpp:197-199L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15Innermost0.010.030.01380.00100100111302000
3498libgromacs_mpi.so.7 - stl_algobase.h:740-742std::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>...Single0.010.030.01340.00025114301000
3459libgromacs_mpi.so.7 - pairlist.cpp:3543-3546 [...]_INTERNALb629d8fd::reduce_buffer_flags(gmx::ArrayRef<PairsearchWork>, int, gmx::ArrayRef<std::array<unsigned long, 2ul> >)Innermost0.010.16010.00025114102000
4493libgromacs_mpi.so.7 - localtopology.cpp:731-787 [...]void _INTERNALd64f4cfb::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> &g...InBetween0.010.020360.00020.83117.172NANANANANA
19774libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]_INTERNAL661916bb::gmx::set_matrix_indices(_INTERNAL661916bb::gmx::Lincs*, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ListOfLists<int> const&, bool)Innermost0.010.020360.00017.71117.11201.5001
4276libgromacs_mpi.so.7 - iterator_interface.hpp:459-459 [...]_INTERNALcd96ede4::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> >*)InBetween0.010.17010.0010.7425.024.1718.031NANANANANA
4886libgromacs_mpi.so.7 - redistribute.cpp:349-421 [...]_INTERNAL719fd497::calc_cg_move(_IO_FILE*, long, gmx_domdec_t*, t_state*, int const*, float (*) [3], float const*, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>)InBetween0.010.010220.002.0213.791.331.188.711NANANANANA
2223libgromacs_mpi.so.7 - atomdata.cpp:1006-1011 [...]L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_54Innermost0.010.010220.00015117.43142100
22920libgromacs_mpi.so.7 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020.0152575.2610091.25111.12226000
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