options

Loops Index

62 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 1x1 (%) Max Time Over Threads 1x1 (s) Time w.r.t. Wall Time 1x1 (s) Nb Threads 1x1 GFLOPS 1x1 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing 1x1 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelCoverage 1x1 (%)Max Time Over Threads 1x1 (s)Time w.r.t. Wall Time 1x1 (s)Nb Threads 1x1GFLOPS 1x1Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing 1x1Stride 0Stride 1Stride nStride UnknownStride Indirect
1830libgromacs_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*)Innermost38.82107.35107.35169.3794.3395.08111120162
1834libgromacs_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*)Innermost13.8238.2338.23172.5494.0694.84111120162
1837libgromacs_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*)Innermost6.1216.9316.93175.5892.4893.45111120180
14752libgromacs_mpi.so.7 - pme_gather.cpp:81-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost3.7210.2910.29129.4459.9149.911.381.041.321NANANANANA
14921libgromacs_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]InBetween3.359.269.2617.8265.4439.251.711.63.721NANANANANA
1841libgromacs_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*)Innermost2.547.027.02171.4093.4594.3111120180
1831libgromacs_mpi.so.7 - avxintrin.h:149-1328 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.875.185.18169.369494.49111134330
2313libgromacs_mpi.so.7 - kernel_prune.cpp:115-181 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost1.744.814.81134.6592.7994.211.1811.0511.51101.5
13253libgromacs_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]InBetween1.584.374.3712.176.2514.841.031.688.481NANANANANA
1835libgromacs_mpi.so.7 - avxintrin.h:149-1328 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.584.384.38172.6594.3994.72111134420
14926libgromacs_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]InBetween1.283.533.5317.352018.621.42.366.351NANANANANA
1829libgromacs_mpi.so.7 - kernel_outer.h:353-639 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost1.153.193.19172.7257.4457.051.11.532.031NANANANANA
1833libgromacs_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*)Innermost1.012.792.79160.6499.4699.59111120161
13474libgromacs_mpi.so.7 - settle.cpp:423-431 [...]void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const*, true, false>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) [clone .constprop.0]Single0.842.322.32115.3596.9583.081.1511.131300250
14529libgromacs_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*...Single0.661.821.82115.2974.7661.621.541.011.291NANANANANA
14659libgromacs_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>, ...Single0.651.81.816.0054.8942.021.541.021.381NANANANANA
14940libgromacs_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]Innermost0.61.661.6614.803.0313.641.341.778123.50.506
3886libgromacs_mpi.so.7 - pairlist_simd_4xm.h:136-195 [...]makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.491.361.3614.7579.2166.521.291.071.2614.3301.6700
14537libgromacs_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*,...Outermost0.471.31.3117.2081.7457.341.51.031.371200160
14785libgromacs_mpi.so.7 - pme_grid.cpp:303-309 [...]copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)Innermost0.461.281.2810.00012.511.512102000
13246libgromacs_mpi.so.7 - lincs.cpp:368-383 [...]gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])Single0.451.231.2319.8242.1123.6811.175.01102152
14881libgromacs_mpi.so.7 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.431.21.217.305.6314.6114.348100600
14882libgromacs_mpi.so.7 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.41.11.1139.806.6715158100900
13261libgromacs_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...Single0.371.021.0217.6983.8566.151.1211.321331146
14787libgromacs_mpi.so.7 - pme_grid.cpp:402-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.330.910.9110.00012.511.512102000
3924libgromacs_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]InBetween0.320.890.8913.626.0615.941.72.1611.231NANANANANA
13588libgromacs_mpi.so.7 - avxintrin.h:204-887 [...]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...Innermost0.310.850.8518.9810098.08111.04101800
14879libgromacs_mpi.so.7 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.290.80.8111.26012.5118101100
1838libgromacs_mpi.so.7 - avxintrin.h:149-1328 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.260.720.72197.7993.3493.81111134330
3926libgromacs_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]Innermost0.260.710.7114.57012.51.221.7581NANANANANA
13262libgromacs_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...Outermost0.260.730.7313.25012.51.021.4310.111NANANANANA
2963libgromacs_mpi.so.7 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.250.70.710.00013.321.011.027.95100070
1842libgromacs_mpi.so.7 - avxintrin.h:149-1328 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.230.630.63196.1794.1494.56111134420
14880libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.210.580.58110.8710098.08111112100
14538libgromacs_mpi.so.7 - bonded.cpp:2072-2095 [...]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*,...Innermost0.20.560.56110.724.914.342.52181100110
1836libgromacs_mpi.so.7 - kernel_outer.h:353-648 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.180.490.49182.3657.0456.251.081.582.171NANANANANA
2971libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0]Innermost0.170.480.4811.76012.51.1118102001
5132libgromacs_mpi.so.7 - threaded_force_buffer.cpp:78-81 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.160.440.4410.00012.51181NANANANANA
14873libgromacs_mpi.so.7 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.150.410.41110.35014.512.797.43113600
1832libgromacs_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*)Innermost0.150.410.41158.4598.0798.13111131161
1840libgromacs_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*)Innermost0.140.370.37168.3299.6299.71111120161
3885libgromacs_mpi.so.7 - pairlist_simd_4xm.h:204-262 [...]makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.130.360.3614.5381.4461.321.171.081.331401.500
14543libgromacs_mpi.so.7 - bonded.cpp:444-1089 [...]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...Single0.110.310.3113.1315.9217.541.111.236.721NANANANANA
13331libgromacs_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]Innermost0.110.30.318.75013.231.111.199.581NANANANANA
14872libgromacs_mpi.so.7 - pme_solve.cpp:234-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.10.280.28115.4818.0925.951.161.141.981NANANANANA
13260libgromacs_mpi.so.7 - lincs.cpp:919-919 [...]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...Innermost0.10.280.28117.5181.467.44111.28114140
13559libgromacs_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]Single0.080.220.2210.00018.75115.33100200
13475libgromacs_mpi.so.7 - settle.cpp:423-674 [...]void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const*, true, true>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*)Single0.080.230.23120.3997.285.081.1511.121400220
5113libgromacs_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...Innermost0.070.190.1913.5228.5723.21115.33100110
14877libgromacs_mpi.so.7 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.070.180.1816.63514.38129.61001400
13508libgromacs_mpi.so.7 - sim_util.cpp:466-466 [...]setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) [clone .constprop.0]Single0.060.160.1610.00012.511.512100100
3916libgromacs_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]InBetween0.060.150.1516.78013.11112.751NANANANANA
12894libgromacs_mpi.so.7 - calcvir.cpp:61-81 [...]calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])Single0.060.180.1716.06012.511.078.571NANANANANA
4514libgromacs_mpi.so.7 - localtopology.cpp:416-576 [...]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...Outermost0.050.130.1310.00016.611115.681NANANANANA
14657libgromacs_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>, ...Single0.050.140.1412.6715.1918.471.771.489.681NANANANANA
3910libgromacs_mpi.so.7 - new_allocator.h:175-175 [...]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]InBetween0.050.130.1315.2314.55252.561.021.431NANANANANA
13264libgromacs_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...Innermost0.050.120.1213.19012.511.4210.22113020
14878libgromacs_mpi.so.7 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.050.120.12110.845.2614.47129.61001400
3884libgromacs_mpi.so.7 - pairlist_simd_4xm.h:268-273 [...]makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.050.140.1415.54015.88116.871NANANANANA
14874libgromacs_mpi.so.7 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.050.130.1318.53012.511.129102100
14876libgromacs_mpi.so.7 - pme_solve.cpp:473-475solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.110.11119.69012.515.258102000
13589libgromacs_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...Innermost0.040.120.12111.7336.84251.071.13.87101520
14798libgromacs_mpi.so.7 - pme_grid.cpp:438-442wrap_periodic_pmegrid(gmx_pme_t const*, float*)InBetween0.030.090.0910.69015.631.41.47.161NANANANANA
12873libgromacs_mpi.so.7 - calc_verletbuf.cpp:530-721 [...]calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)Innermost0.030.070.0711.8421.6522.161.451.376.11NANANANANA
1839libgromacs_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*)Innermost0.030.080.09138.6998.6298.31111131161
2312libgromacs_mpi.so.7 - kernel_prune.cpp:76-181 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.030.070.07158.6320311.272.011.591NANANANANA
14539libgromacs_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*...Outermost0.030.080.08111.4282.1460.221.551.031.351200160
13340libgromacs_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]Outermost0.030.090.0910.0612.519.531.342.239.091NANANANANA
14555libgromacs_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...Outermost0.020.050.0512.4033.33254.3318110220
3923libgromacs_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]InBetween0.020.040.0413.727.6915.021.421.5312.111NANANANANA
14767libgromacs_mpi.so.7 - pme_grid.cpp:535-539unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1]InBetween0.020.060.0610.00016.671.2416.931NANANANANA
4533libgromacs_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:...InBetween0.020.050.0510.00016.591111.121NANANANANA
3089libgromacs_mpi.so.7 - grid.cpp:1241-1311 [...]Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)Single0.020.040.0410.44014.5822.047.441NANANANANA
14540libgromacs_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*...Innermost0.020.060.06117.13012.51.6318.031100110
13502libgromacs_mpi.so.7 - vec.h:141-147sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone ._omp_fn.0]Single0.020.050.0512.8328.5723.21115.33100110
14875libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.060.06149.4010098.08111112100
13506libgromacs_mpi.so.7 - sim_util.cpp:466-466 [...]setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) [clone .constprop.0]Single0.020.040.0410.00012.511.512100100
3911libgromacs_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]Innermost0.020.040.0419.28017.86115.821NANANANANA
3915libgromacs_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]InBetween0.020.050.0517.05019.23116.261NANANANANA
13255libgromacs_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...Single0.020.040.0419.093.0313.6411.068.52111300
13258libgromacs_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...Innermost0.020.050.0513.3510010011.171.17111600
3079libgromacs_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*)Outermost0.010.030.0310.00014.24117.771NANANANANA
14789libgromacs_mpi.so.7 - pme_grid.cpp:469-471wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.020.0212.69012.5118102000
3069libgromacs_mpi.so.7 - grid.cpp:329-408 [...]Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.0] [clone .isra.0]Outermost0.010.020.0210.00015.323.131.997.271NANANANANA
5112libgromacs_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...Outermost0.010.020.0213.4424.3924.162.142.4710.391NANANANANA
4358libgromacs_mpi.so.7 - domdec_constraints.cpp:314-388 [...]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> >*) [clone .isra.0]Outermost0.010.020.0210.0015.3822.243.5817.821NANANANANA
3912libgromacs_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]Innermost0.010.020.02110.88018.1115.511NANANANANA
13285libgromacs_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]InBetween0.010.030.0310.00017.521117.411NANANANANA
14762libgromacs_mpi.so.7 - pme_grid.cpp:520-522unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.0]Innermost0.010.030.0310.00012.511.512102000
14613libgromacs_mpi.so.7 - threaded_force_buffer.h:110-110 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0]InBetween0.010.030.0310.00023.15116.441NANANANANA
14784libgromacs_mpi.so.7 - pme_grid.cpp:301-309copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)InBetween0.010.020.0210.00016.671.2116.81NANANANANA
3068libgromacs_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 .constprop.0] [clone .isra.0]Single0.010.040.0410.16012.51181NANANANANA
13257libgromacs_mpi.so.7 - lincs.cpp:1193-1195gmx::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...Single0.010.010.0111.00018.75116101200
4370libgromacs_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]InBetween0.010.020.0210.00017.711111.91NANANANANA
5280libgromacs_mpi.so.7 - mshift.cpp:454-643 [...]mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3])Innermost0.010.010.0111.5021.5821.042.31.6810.491NANANANANA
4692libgromacs_mpi.so.7 - redistribute.cpp:349-419 [...]dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone ._omp_fn.0]InBetween0.010.030.0310.0016.1318.951.231.356.991NANANANANA
3917libgromacs_mpi.so.7 - pairlist.cpp:1316-1322PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.020.02110.06012.5118110000
14554libgromacs_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...Single0.010.030.0311.5425.3320.831.782.796.62121020
4516libgromacs_mpi.so.7 - ga2la.h:112-114 [...]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...InBetween0.010.030.0310.00013.19117.8110.671.67010.67
12847libgromacs_mpi.so.7 - calc_verletbuf.cpp:162-438 [...]getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)InBetween0.010.020.0210.000131.09181NANANANANA
14786libgromacs_mpi.so.7 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Outermost0.010.030.0310.00016.411.416.871NANANANANA
3909libgromacs_mpi.so.7 - pairlist.cpp:184-3490 [...]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]InBetween0.010.020.0214.812.3813.691.821.187.81NANANANANA
3914libgromacs_mpi.so.7 - pairlist.cpp:607-3490 [...]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]InBetween0.010.020.0213.507.3218.295.711.355.391NANANANANA
3918libgromacs_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]Innermost0.010.040.0416.25012.51181NANANANANA
4359libgromacs_mpi.so.7 - domdec_constraints.cpp:338-388 [...]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> >*) [clone .isra.0]InBetween0.010.020.0210.00017.251115.531NANANANANA
14794libgromacs_mpi.so.7 - pme_grid.cpp:453-455wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.010.0118.25012.5118102000
3908libgromacs_mpi.so.7 - pairlist.cpp:184-3490 [...]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]InBetween0.010.030.0316.048.3316.151.481.187.621NANANANANA
13241libgromacs_mpi.so.7 - lincs.cpp:1253-1353 [...]gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone ._omp_fn.0]InBetween0.010.020.0210.3813.7918.532.561.77.761NANANANANA
14560libgromacs_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...Single0.010.010.0115.13015.952.031.826.95121010
13666libgromacs_mpi.so.7 - vcm.cpp:290-292do_stopcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) [clone ._omp_fn.0]Single0.010.010.0110.50012.5118111000
3913libgromacs_mpi.so.7 - pairlist.cpp:1998-2000PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.020.0214.19025114102000
4716libgromacs_mpi.so.7 - reversetopology.cpp:140-145 [...]globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)Single0.010.010.0110.00012.51NANA100010
4608libgromacs_mpi.so.7 - new_allocator.h:175-175 [...]make_dd_indices(gmx_domdec_t*, int)InBetween0.010.010.0110.00017.712.11110.361NANANANANA
4371libgromacs_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]InBetween0.010.030.0310.00014.77117.541NANANANANA
4616libgromacs_mpi.so.7 - partition.cpp:643-645 [...]clearDDStateIndices(gmx_domdec_t*, bool)Single0.010.020.0210.00012.5118111005
4528libgromacs_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:...Outermost0.010.010.0110.00021.88116.671NANANANANA
13263libgromacs_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...Single0.010.030.0312.33100100111101400
14801libgromacs_mpi.so.7 - pme_grid.cpp:502-504unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.010.030.0310.00012.511.512102000
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