options

Loops Index

155 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
1138libgromacs_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*)Innermost19.4216.9410.68523115.2881.9384.191111.620133
1136libgromacs_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*)Innermost7.1311.213.92523296.6882.9285.061112.8920133
17020libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost5.344.992.94520.000251.25141.7110050
1145libgromacs_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*)Innermost2.862.461.57523782.3584.8186.711111.5820133
2481libgromacs_mpi.so.7 - kernel_common.cpp:56-76 [...]clearForceBuffer(nbnxn_atomdata_t*, int)Single2.752.741.51520.0091.6777.381.011.531.841.8301.250.500
16902libgromacs_mpi.so.7 - pme_spread.cpp:639-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]Innermost2.522.351.39523.03012.51181.7202000
16654libgromacs_mpi.so.7 - pme_gather.cpp:156-156 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Innermost2.022.261.1152840.3690.9182.95111.062.0502030
16934libgromacs_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]InBetween1.231.180.6752533.8958.4336.381.91.693.931.76NANANANANA
16961libgromacs_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]Innermost1.221.030.675266.8617.1419.291.331.914.671.5614109
16649libgromacs_mpi.so.7 - pme_gather.cpp:91-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost1.161.150.6452918.1447.7330.231.91.657.071.83NANANANANA
1143libgromacs_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*)Innermost1.121.860.62523814.3486.8588.491113.0520133
16941libgromacs_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]InBetween1.050.980.5852249.8144.1829.0211.872.881.72NANANANANA
1139libgromacs_mpi.so.7 - impl_x86_avx_256_simd_float.h:71-406 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.90.860.5523089.1485.0486.361111.7621063
96gmx_mpi - __intel_avx_rep_memcpySingle0.850.930.47527.8410010011.51.52.0202000
16927libgromacs_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]Innermost0.810.910.44524.32100501122.0702000
17013libgromacs_mpi.so.7 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.780.680.43520.000251.04141.5810040
15024libgromacs_mpi.so.7 - settle.cpp:423-423 [...]void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*)Single0.740.650.4152421.0496.5781.481.1411.151.63302440
1137libgromacs_mpi.so.7 - impl_x86_avx_256_simd_float.h:71-406 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.681.020.37523456.1085.786.971112.7621153
14748libgromacs_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>)InBetween0.680.630.3852109.7422.1823.871.912.817.221.71004.51
2259libgromacs_mpi.so.7 - atomdata.cpp:226-233copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.640.790.35360.00012.51.06181.5501110
14754libgromacs_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])Single0.610.560.3352162.7027.7822.2211.235.51.701052
2331libgromacs_mpi.so.7 - atomdata.cpp:1122-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.580.740.324932.411001001112.1801001
14750libgromacs_mpi.so.7 - lincs.cpp:282-284 [...]gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)Innermost0.570.540.3152104.7144.4430.5611.2641.7402002
15184libgromacs_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]Single0.560.560.31520.00018.75116.861.8120210
1617libgromacs_mpi.so.7 - kernel_prune.cpp:115-167 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.530.390.29522850.9288.6490.341.0811.081.3411011
1134libgromacs_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*)Innermost0.530.630.29522372.6498.4498.631112.1720123
1133libgromacs_mpi.so.7 - kernel_outer.h:310-639 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.510.670.28522941.7869.8855.421.131.041.282.39NANANANANA
16283libgromacs_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*...Single0.450.560.2552536.3279.6364.841.531.011.262.33NANANANANA
15171libgromacs_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...Single0.370.330.252180.9292.5990.74111.071.6515000
16953libgromacs_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]Innermost0.330.320.18523.06012.51181.7801112
5340libgromacs_mpi.so.7 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.330.430.18520.0094.1295.591222.3911000
16904libgromacs_mpi.so.7 - pme_spread.cpp:639-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]Innermost0.320.370.18526.101001001112.1802000
2332libgromacs_mpi.so.7 - atomdata.cpp:1122-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.320.520.184929.351001001112.7401002
14740libgromacs_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...Single0.280.230.1652230.4290.3268.391.211.281.53211161
2330libgromacs_mpi.so.7 - atomdata.cpp:1119-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]InBetween0.240.50.134934.6328.5744.641.5811.263.57NANANANANA
16925libgromacs_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]Innermost0.240.650.13524.30012.5118502000
3904libgromacs_mpi.so.7 - pairlist_simd_4xm.h:136-193 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]Innermost0.230.170.1352233.8873.1857.21.221.181.41.312.5001.50
16514libgromacs_mpi.so.7 - pairs.cpp:863-884 [...]void 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)Single0.230.250.1352441.2667.37501.651.021.311.92NANANANANA
14739libgromacs_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...Innermost0.20.210.1152110.60012.511.4210.221.9113010
5281libgromacs_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...Innermost0.190.270.15244.03402512.185.52.711001
2334libgromacs_mpi.so.7 - atomdata.cpp:1207-1211 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.190.220.15248.16022.06116.652.2NANANANANA
16292libgromacs_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*,...Single0.180.190.152977.6041.3543.042.0611.511.9NANANANANA
1146libgromacs_mpi.so.7 - impl_x86_avx_256_simd_float.h:71-406 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.160.160.09523667.4686.8888.241111.7821063
17019libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.140.460.08480.000251145.7510010
3912libgromacs_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.67]Innermost0.120.120.0752204.027.1415.181.091.416.991.7110100
16903libgromacs_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]InBetween0.120.110.06524.56022.92117.311.83NANANANANA
2324libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]Innermost0.110.140.065261.79012.511.182.3302001
14735libgromacs_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...Innermost0.110.120.0652355.4694.1272.7911.051.26225010
1144libgromacs_mpi.so.7 - impl_x86_avx_256_simd_float.h:71-406 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.110.190.06524214.9288.389.431113.1720263
16820libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.110.10.06521295.4998.2398.011111.6713000
5282libgromacs_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...Innermost0.110.210.065257.81402511.674.733.511004
15025libgromacs_mpi.so.7 - settle.cpp:423-423 [...]void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*)Single0.090.110.0552454.2197.183.711.0911.142.2302331
2328libgromacs_mpi.so.7 - atomdata.cpp:1109-1111 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.090.560.052232.001001001115.0901001
16475libgromacs_mpi.so.7 - manage_threading.cpp:365-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]Innermost0.080.090.04510.000251142.2501010
1140libgromacs_mpi.so.7 - kernel_outer.h:310-648 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.080.110.04524229.6471.5159.141.041.511.92.75NANANANANA
14749libgromacs_mpi.so.7 - lincs.cpp:282-284gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)Innermost0.080.110.0452127.00012.512.9182.7502001
3891libgromacs_mpi.so.7 - pairlist.cpp:184-4018 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]InBetween0.080.080.0452245.327.1417.341.722.3711.432NANANANANA
1141libgromacs_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*)Innermost0.080.090.04512647.0398.0898.321112.2520123
3903libgromacs_mpi.so.7 - pairlist_simd_4xm.h:204-260 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]Innermost0.070.080.0452203.0069.0156.291.31.221.4422.5001.50
2329libgromacs_mpi.so.7 - atomdata.cpp:1109-1111 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.070.420.042226.751001001114.6701002
16725libgromacs_mpi.so.7 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]Innermost0.070.110.04500.00012.51182.7502000
16817libgromacs_mpi.so.7 - pme_solve.cpp:555-560solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.060.070.03522251.7810087.51112.3302000
16730libgromacs_mpi.so.7 - pme_grid.cpp:520-522unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.31]Innermost0.060.070.03510.00012.511.5122.3302000
1135libgromacs_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*)Innermost0.060.090.03522832.9197.6197.67111321043
15170libgromacs_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...Single0.050.070.0352218.3830251.271.165.072.3321600
5285libgromacs_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...Innermost0.050.050.035247.75023.33116.31.67NANANANANA
14817libgromacs_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]Innermost0.050.060.0352361.8414.7126.11.131.162.052NANANANANA
3892libgromacs_mpi.so.7 - pairlist.cpp:152-4018 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]InBetween0.050.060.0352193.638.5122.913.3516.432NANANANANA
16338libgromacs_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...Single0.050.060.0352144.8422.3819.571.151.665.34220050.5
17018libgromacs_mpi.so.7 - fft5d.cpp:880-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.050.10.03510.00016.53116.293.33NANANANANA
16947libgromacs_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]InBetween0.040.050.02500.007.1424.112.916.692.5NANANANANA
17011libgromacs_mpi.so.7 - fft5d.cpp:943-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.040.040.02520.00015.28117.222NANANANANA
16816libgromacs_mpi.so.7 - pme_solve.cpp:234-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.040.060.02522948.4152.8247.81.541.061.393NANANANANA
16824libgromacs_mpi.so.7 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.060.02523368.7387.589.06111.1303000
4565libgromacs_mpi.so.7 - stl_vector.h:296-1646 [...]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:...InBetween0.040.040.02510.00021.881116.12NANANANANA
5280libgromacs_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...InBetween0.040.090.025258.88020.832.1116.624.52.5003.250.5
16348libgromacs_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...Innermost0.040.050.0252146.31014.031.251.177.642.520031
16822libgromacs_mpi.so.7 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.050.02523354.4287.589.06111.12.503000
3913libgromacs_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.67]Innermost0.030.030.0152318.38012.51.111.468310100
16835libgromacs_mpi.so.7 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.060.01521424.895.8814.711210.67607000
14823libgromacs_mpi.so.7 - mdatoms.cpp:327-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]Outermost0.030.040.01462.258.6618.261.212.017.982NANANANANA
16513libgromacs_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>, ...Single0.030.040.0152239.1315.8218.391.531.369.044NANANANANA
3934libgromacs_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.67]InBetween0.030.040.0252282.44016.35117.522NANANANANA
3900libgromacs_mpi.so.7 - pairlist.cpp:152-3958 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]InBetween0.030.040.0252155.194.4421.461110.92NANANANANA
16926libgromacs_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]InBetween0.020.030.01517.13022.57115.94300020
2326libgromacs_mpi.so.7 - atomdata.cpp:1053-1223 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]InBetween0.020.040.015256.882.7819.621114.24NANANANANA
2333libgromacs_mpi.so.7 - atomdata.cpp:1207-1211 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.020.030.015238.75023.75115.1311.50.500
16901libgromacs_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]InBetween0.020.050.01487.00020.59115.145NANANANANA
15062libgromacs_mpi.so.7 - sim_util.cpp:149-150 [...]sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]Single0.020.040.015259.8828.5723.21115.33400200
16827libgromacs_mpi.so.7 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.01521053.644023.7511.53.56203000
16826libgromacs_mpi.so.7 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.030.0152578.0110090.63111.1316000
4573libgromacs_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...Outermost0.020.040.01320.005.2617.433.35113.994NANANANANA
14133libgromacs_mpi.so.7 - calcvir.cpp:61-67 [...]calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted]Innermost0.020.030.0152447.013041.2511.071.52300200
14770libgromacs_mpi.so.7 - stl_vector.h:296-1646 [...]gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52]Innermost0.020.030.01400.00023.48116.883NANANANANA
3951libgromacs_mpi.so.7 - vector.tcc:471-473 [...]rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]InBetween0.020.030.01430.008.3325116.483NANANANANA
16707libgromacs_mpi.so.7 - pme_grid.cpp:502-504unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.020.650.0110.00012.511.512102000
16834libgromacs_mpi.so.7 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.030.01522255.155.8814.711210.67307000
2415libgromacs_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*)Innermost0.010.020210.00016.15117.38211002
17016libgromacs_mpi.so.7 - fft5d.cpp:854-1166 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.030250.00021.53115.863NANANANANA
14734libgromacs_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...Innermost0.010.030.015273.8810010011.21.2004000
3914libgromacs_mpi.so.7 - pairlist.cpp:184-4018 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]InBetween0.010.020.0152230.2520.9429.053.3311.382NANANANANA
17008libgromacs_mpi.so.7 - fft5d.cpp:789-1407 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.010.020.015278.88017.21119.612NANANANANA
5279libgromacs_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...Outermost0.010.020.015228.63017.86117.122NANANANANA
2320libgromacs_mpi.so.7 - atomdata.cpp:1006-1015 [...]nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted]Innermost0.010.010260.00020.83116.52141010
3927libgromacs_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 .extracted.67]Innermost0.010.020.0152138.75013.021180NANANANANA
16923libgromacs_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]Outermost0.010.010520.008.4123.483.851.961.270NANANANANA
16968libgromacs_mpi.so.7 - fft.cpp:132-140gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)Single0.010.020520.00020117.43010000
3933libgromacs_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.67]InBetween0.010.020.0152121.75018.75117.080NANANANANA
4415libgromacs_mpi.so.7 - stl_vector.h:296-1660 [...]dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted]InBetween0.010.020.01310.00016.151116.922NANANANANA
14765libgromacs_mpi.so.7 - lincs.cpp:1942-1947 [...]gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted]Innermost0.010.020260.00020.31115.220.51.5001.5
16450libgromacs_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...Innermost0.010.010520.00023.09115.730001.6700
4419libgromacs_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]InBetween0.010.020280.00014.06117.782NANANANANA
3946libgromacs_mpi.so.7 - vector.tcc:471-473 [...]rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]InBetween0.010.030.01240.0013.3325.833.9716.423NANANANANA
14665libgromacs_mpi.so.7 - lincs.cpp:1773-2151 [...]gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*)InBetween0.010.15010.00016.293.791.9911.261NANANANANA
2424libgromacs_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>)Outermost0.010.010310.00013.073.693.17.891NANANANANA
3888libgromacs_mpi.so.7 - pairlist.cpp:184-4018 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]InBetween0.010.010.0152107.5010.4518.661.771.351.981NANANANANA
16948libgromacs_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]Innermost0.010.020.01350.00016.671182NANANANANA
14738libgromacs_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...Outermost0.010.010520.00025114011.5020
2421libgromacs_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>)Single0.010.010260.00013.24117.761NANANANANA
3929libgromacs_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 .extracted.67]Innermost0.010.020.0152141.13013.11182NANANANANA
3935libgromacs_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.67]Innermost0.010.020.0152166.63016.32117.44210001
2419libgromacs_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>)Innermost0.010.030.01260.0016.6722.92214.84321101
17017libgromacs_mpi.so.7 - fft5d.cpp:876-1166 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.020240.00018116.672NANANANANA
16688libgromacs_mpi.so.7 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Outermost0.010.020.01468.75017.05117.422NANANANANA
14756libgromacs_mpi.so.7 - lincs.cpp:1936-2210 [...]gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted]InBetween0.010.010310.00022.84116.871NANANANANA
3890libgromacs_mpi.so.7 - pairlist.cpp:184-4018 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]InBetween0.010.010520.007.4117.251.51.499.670NANANANANA
5283libgromacs_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...Innermost0.010.050.014522.6328.5723.21115.33501100
1142libgromacs_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*)Innermost0.010.020510.0097.6297.75111031033
16949libgromacs_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]Innermost0.010.030.01400.0010050112302000
16460libgromacs_mpi.so.7 - manage_threading.cpp:125-162 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)InBetween0.010.15010.00018.33117.481NANANANANA
5339libgromacs_mpi.so.7 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.010.020.01310.0094.1295.59122211000
16461libgromacs_mpi.so.7 - manage_threading.cpp:144-146setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)Innermost0.010.17010.00025114101001
16924libgromacs_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]InBetween0.010.040230.00023.66115.6441001.50
16967libgromacs_mpi.so.7 - fft.cpp:115-123gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)Single0.010.020.0152406.63020117.43210000
16293libgromacs_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*...Single0.010.070.0145812.1451.2757.641.7811.427NANANANANA
97gmx_mpi - __intel_avx_rep_memsetSingle0.010.020310.00100100122201000
4397libgromacs_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> >*)InBetween0.010.15010.00020.524.7110.251NANANANANA
16347libgromacs_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...Outermost0.010.020.015262.885.8821.32717.282NANANANANA
3977libgromacs_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>...Single0.010.020.01360.001005011.53211000
14176libgromacs_mpi.so.7 - constr.cpp:587-607 [...]gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)...Single0.010.020300.0032.131.362.4312.242300.510
1616libgromacs_mpi.so.7 - kernel_prune.cpp:76-176 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.010.020.01522056.526.1119.541.241.32.2421.670.67031
5349libgromacs_mpi.so.7 - threaded_force_buffer.cpp:278-278 [...]gmx::ThreadedForceBuffer<float [4]>::setupReduction()Innermost0.010.21010.00100501.3312111002
4576libgromacs_mpi.so.7 - stl_vector.h:951-951 [...]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...InBetween0.010.020240.00016.67117.532NANANANANA
17009libgromacs_mpi.so.7 - fft5d.cpp:918-1166 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.020240.00017.44116.082NANANANANA
17012libgromacs_mpi.so.7 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.010.010220.000251.2514111000
14727libgromacs_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...Single0.010.010520.00012.511.239.82012100
4557libgromacs_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...Outermost0.010.020230.00018.75117.022NANANANANA
14768libgromacs_mpi.so.7 - lincs.cpp:1705-1715 [...]gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted]Innermost0.010.020190.00022.92116.652NANANANANA
16349libgromacs_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...Single0.010.030360.0036.8227.741.571.424.42320020
17010libgromacs_mpi.so.7 - fft5d.cpp:939-1166 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.010240.00016.88117.481NANANANANA
5327libgromacs_mpi.so.7 - threaded_force_buffer.cpp:122-122 [...]gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)Single0.010.030.01340.00100100122301000
16829libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020.01521010.7698.297.97111213000
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