options

Loops Index

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

▼Colums Filter

Level Coverage 1x52 (%) Max Time Over Threads 1x52 (s) Time w.r.t. Wall Time 1x52 (s) Nb Threads 1x52 GFLOPS 1x52 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing 1x52 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelCoverage 1x52 (%)Max Time Over Threads 1x52 (s)Time w.r.t. Wall Time 1x52 (s)Nb Threads 1x52GFLOPS 1x52Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing 1x52Stride 0Stride 1Stride nStride UnknownStride Indirect
1064libgromacs_mpi.so.7 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost13.7113.1610.03522333.8492.2185.88111.021.3320123
15455libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost5.455.43.99520.0091.6723.441.0716.611.3700002
1062libgromacs_mpi.so.7 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost5.129.563.74522414.6893.8387.73111.022.5820123
15354libgromacs_mpi.so.7 - pme_spread.cpp:635-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]InBetween4.754.233.47527.5258.8263.62.4611.11.23NANANANANA
15113libgromacs_mpi.so.7 - pme_gather.cpp:94-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost4.234.733.0952324.2164.4239.21.721.071.411.55NANANANANA
13345libgromacs_mpi.so.7 - lincs.cpp:270-287 [...]gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)InBetween2.242.071.645288.2755.6533.371.381.111.431.2810060
1071libgromacs_mpi.so.7 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost2.022.051.47522716.7988.8485.03111.011.420123
15382libgromacs_mpi.so.7 - pme_spread.cpp:358-400 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween1.421.51.0452187.8763.6425.992.062.331.431.47NANANANANA
15448libgromacs_mpi.so.7 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost1.381.341.01520.0083.3321.881.0917.271.3400002
1757libgromacs_mpi.so.7 - kernel_common.cpp:56-76 [...]clearForceBuffer(nbnxn_atomdata_t*, int)Single1.351.30.99520.0088.8973.611111.34NANANANANA
15388libgromacs_mpi.so.7 - pme_spread.cpp:277-975 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween1.131.180.8352188.6649.3215.841.042.147.121.44NANANANANA
13350libgromacs_mpi.so.7 - lincs.cpp:417-432 [...]gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])Single0.881.090.645248.8927.7811.111.121.5810.541.7301061
15375libgromacs_mpi.so.7 - pme_spread.cpp:445-447spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]Innermost0.831.040.6520.00100501121.7302000
15374libgromacs_mpi.so.7 - pme_spread.cpp:441-447spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween0.830.940.61520.0026.7127.72.0811.721.571.67002.670
13583libgromacs_mpi.so.7 - settle.cpp:423-423 [...]gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...Single0.820.780.652180.0098.2393.871.0111.011.32303036
1069libgromacs_mpi.so.7 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.781.410.57522805.6290.3286.69111.012.4720123
1065libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.680.750.49521815.3589.6883.721.0411.021.5321133
1623libgromacs_mpi.so.7 - atomdata.cpp:1122-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.660.880.485125.331001001111.801001
15406libgromacs_mpi.so.7 - pme_spread.cpp:104-145 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]Innermost0.620.580.465260.0206.451.372.2215.741.2914109
1063libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.531.090.39522003.2890.7685.031.0311.022.7921052
15276libgromacs_mpi.so.7 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.510.480.3852101.0590.9126.141.091.765.241.301001
14751libgromacs_mpi.so.7 - bonded.cpp:1151-1170 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Single0.480.60.3552272.9180.5150.231.141.031.461.71NANANANANA
1060libgromacs_mpi.so.7 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.480.560.35511674.9797.886.95111.031.620122
13719libgromacs_mpi.so.7 - update.cpp:481-481 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...Single0.450.430.335269.821001001.12111.3405000
14760libgromacs_mpi.so.7 - bonded.cpp:2066-2126 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...Single0.450.450.3352568.8569.7255.291.2511.41.41NANANANANA
1059libgromacs_mpi.so.7 - kernel_outer.h:333-595 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.430.510.3152662.9058.6435.71.421.021.541.65NANANANANA
1543libgromacs_mpi.so.7 - kernel_prune.cpp:109-149 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.420.380.31521734.7185.7179.761.111.031.2301020
13337libgromacs_mpi.so.7 - lincs.cpp:798-810 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Single0.380.380.285282.2999.0184.281.0111.061.41150014
4536libgromacs_mpi.so.7 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.350.460.26520.0088.8990.281111.8411000
1626libgromacs_mpi.so.7 - atomdata.cpp:1207-1211 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.340.320.255221.76011.311110.51.33NANANANANA
13734libgromacs_mpi.so.7 - update.cpp:1637-1641 [...]gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]Single0.310.310.23520.0009.381110.671.4120210
3185libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:130-174 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.290.260.2152184.0070.4839.511.391.341.741.242.5001.50
1624libgromacs_mpi.so.7 - atomdata.cpp:1122-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.290.530.214819.051001001112.4101002
14979libgromacs_mpi.so.7 - pairs.cpp:863-884 [...]void do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)Single0.270.310.252204.1562.0735.361.251.031.71.55NANANANANA
87gmx_mpi - __intel_avx_rep_memcpySingle0.270.280.2520.00100501121.402000
1554libgromacs_mpi.so.7 - atomdata.cpp:226-233copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.260.390.19360.0006.621.54115.591.4411030
3180libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:130-242 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.250.230.185287.4413.4810.362.812.8823.041.28NANANANANA
4478libgromacs_mpi.so.7 - threaded_force_buffer.cpp:209-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Innermost0.230.320.165226.064012.51211211001
15190libgromacs_mpi.so.7 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]Innermost0.190.210.14520.0006.2511161.502000
13330libgromacs_mpi.so.7 - lincs.cpp:919-931 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.180.220.1352114.4696.8380.46111.141.6904008
13336libgromacs_mpi.so.7 - lincs.cpp:1087-1089 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.180.20.135242.1506.2511.13161.5413010
15399libgromacs_mpi.so.7 - pme_spread.cpp:172-174spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]Innermost0.160.160.12520.0006.2511161.4501112
3191libgromacs_mpi.so.7 - pairlist.cpp:3407-3409PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.150.160.11527.647.147.591.111.31141.4510100
1616libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]Innermost0.140.160.15243.3006.251.381.81161.602001
4479libgromacs_mpi.so.7 - threaded_force_buffer.cpp:209-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Innermost0.140.250.15232.004012.511.859.472.511004
15454libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.130.320.09480.00012.51183.200020
1622libgromacs_mpi.so.7 - atomdata.cpp:1119-1124 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]InBetween0.120.190.094923.1128.5736.612.6311.272.11NANANANANA
15274libgromacs_mpi.so.7 - pme_solve.cpp:234-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.090.110.0752455.2958.7345.42.371.051.41.57NANANANANA
13584libgromacs_mpi.so.7 - settle.cpp:423-423 [...]gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...Single0.090.130.0752210.2998.1494.531.0111.011.86303030
4477libgromacs_mpi.so.7 - threaded_force_buffer.cpp:207-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...InBetween0.090.120.075242.00010.423.17113.251.712.5003.250.5
1072libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.080.10.06522566.6787.1383.781.0211.011.6731132
3184libgromacs_mpi.so.7 - pairlist_simd_2xmm.h:185-229 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.080.110.0652277.8373.6140.571.351.341.741.832.5001.50
1620libgromacs_mpi.so.7 - atomdata.cpp:1109-1111 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.080.490.061816.001001001113.0601001
13718libgromacs_mpi.so.7 - update.cpp:361-387 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...Single0.070.080.055276.8035.2912.871.351.719.741.601510
1070libgromacs_mpi.so.7 - impl_x86_avx_512_simd_float.h:71-462 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.070.170.05522747.2087.3984.21.0211.013.431132
1066libgromacs_mpi.so.7 - kernel_outer.h:333-603 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.070.10.0552523.6064.6643.071.351.061.472NANANANANA
1067libgromacs_mpi.so.7 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.070.090.05501873.6099.1790.89111.021.820122
4482libgromacs_mpi.so.7 - threaded_force_buffer.cpp:182-186 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Innermost0.070.090.055211.60011.671110.51.8NANANANANA
1621libgromacs_mpi.so.7 - atomdata.cpp:1109-1111 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.070.460.052119.201001001113.8301001
14807libgromacs_mpi.so.7 - vec.h:141-335 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...Single0.070.10.0552195.6022.679.831.192.1210220050.5
13335libgromacs_mpi.so.7 - lincs.cpp:1085-1089 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Outermost0.070.10.055256.6007.291.792.1115.092NANANANANA
15394libgromacs_mpi.so.7 - pme_spread.cpp:188-199 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween0.060.090.04520.0042.8633.932.3411.262.25NANANANANA
1061libgromacs_mpi.so.7 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.060.090.05481187.2095.8385.68111.031.821042
3183libgromacs_mpi.so.7 - pairlist.cpp:152-934 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.060.080.0552136.206.78.81118.431.620.5022
3176libgromacs_mpi.so.7 - pairlist.cpp:607-1420 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.050.080.04520.0007.391115.32.67NANANANANA
3665libgromacs_mpi.so.7 - stl_vector.h:378-1936 [...]dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted]InBetween0.050.080.04500.0007.911116.52NANANANANA
15279libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.050.070.04521804.001001001111.7503000
14978libgromacs_mpi.so.7 - vec.h:141-345 [...]do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...Single0.040.060.0352127.6715.929.221.861.9721.882NANANANANA
15152libgromacs_mpi.so.7 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Outermost0.040.060.03520.0038.128.272.711.292NANANANANA
14817libgromacs_mpi.so.7 - bonded.cpp:1913-2008 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...Innermost0.040.060.035227.3327.381.331.5214.7220031
3161libgromacs_mpi.so.7 - pairlist.cpp:152-3996 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.040.070.03529.0017.6516.543.081.031.442.33NANANANANA
13414libgromacs_mpi.so.7 - md_support.cpp:139-157 [...]calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone .extracted]Innermost0.040.070.0352251.672013.571.321.88.892.33NANANANANA
3192libgromacs_mpi.so.7 - pairlist.cpp:3392-3394PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.030.040.025227.0006.251.111.2516210100
15278libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.040.02523464.01100100111203000
1618libgromacs_mpi.so.7 - atomdata.cpp:1053-1223 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]InBetween0.030.050.0251152.003.79.841130.692.5NANANANANA
13621libgromacs_mpi.so.7 - sim_util.cpp:149-150 [...]sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]Single0.030.040.025248.0028.5711.611.061.139.38200200
15453libgromacs_mpi.so.7 - fft5d.cpp:880-1166 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.030.050.02500.0007.21.81115.352.520010
14761libgromacs_mpi.so.7 - bonded.cpp:2179-2256 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Outermost0.030.130.0232568.0090.5587.571.02114.3330240
15195libgromacs_mpi.so.7 - pme_grid.cpp:520-522unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30]Innermost0.030.050.02500.0006.2511162.502000
13332libgromacs_mpi.so.7 - lincs.cpp:1155-1155 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.030.060.025140.00100100111304000
3177libgromacs_mpi.so.7 - pairlist.cpp:607-1326 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.020.050.01440.0006.251116500001
3801libgromacs_mpi.so.7 - stl_vector.h:378-1899 [...]void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...InBetween0.020.050.01470.00010.831131.142.5NANANANANA
4476libgromacs_mpi.so.7 - threaded_force_buffer.cpp:170-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Outermost0.020.030.015042.007.149.62.913.6613.763NANANANANA
1625libgromacs_mpi.so.7 - atomdata.cpp:1207-1211 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]Innermost0.020.040.01480.00011.98119.8541.510.500
15353libgromacs_mpi.so.7 - pme_spread.cpp:633-641spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]InBetween0.020.050.01440.00010.711111.292.5NANANANANA
15283libgromacs_mpi.so.7 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.040.0149211.0093.3393.75111403000
3160libgromacs_mpi.so.7 - pairlist.cpp:152-3996 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.020.030.014814.0016.0711.051.481.712.193NANANANANA
3210libgromacs_mpi.so.7 - stl_vector.h:1280-1289 [...]rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]Innermost0.020.040.02490.00011.11119.82231000.5
13420libgromacs_mpi.so.7 - mdatoms.cpp:327-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]Outermost0.020.040.01501.009.38.891.842.917.644NANANANANA
15286libgromacs_mpi.so.7 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.050.0251200.0096.363.431.0611.212.502002
3179libgromacs_mpi.so.7 - pairlist.cpp:152-3996 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.020.040.014732.0014.819.781.461.7115.614NANANANANA
4480libgromacs_mpi.so.7 - threaded_force_buffer.cpp:200-200 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Innermost0.020.10.013720.0028.5711.611.061.069.6500200
12783libgromacs_mpi.so.7 - calcvir.cpp:61-67 [...]calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted]Innermost0.020.030.0251156.0055.562511.833.761.500200
14816libgromacs_mpi.so.7 - bonded.cpp:1913-2011 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...Outermost0.020.050.015271.005.8810.668.36114.155NANANANANA
14762libgromacs_mpi.so.7 - bonded.cpp:2185-2213 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...Innermost0.020.110.02292.009.389.041.26111.073.670010.51.5
1701libgromacs_mpi.so.7 - grid.cpp:415-420Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Single0.010.020.01310.0006.621115.522NANANANANA
15413libgromacs_mpi.so.7 - fft.cpp:132-140gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)Single0.010.020.0148960.000101114.86210000
3809libgromacs_mpi.so.7 - hashedmap.h:274-281 [...]int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int...Outermost0.010.040.01320.005.268.724.72122.864NANANANANA
14925libgromacs_mpi.so.7 - manage_threading.cpp:144-146setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)Innermost0.010.24010.00012.5118101001
15443libgromacs_mpi.so.7 - fft5d.cpp:789-1407 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.010.020.01370.002.788.649.4217.492NANANANANA
4541libgromacs_mpi.so.7 - threaded_force_buffer.cpp:278-278 [...]gmx::ThreadedForceBuffer<float [4]>::setupReduction()Innermost0.010.280.0110.00100251.514111002
3669libgromacs_mpi.so.7 - ga2la.h:112-126 [...]dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted]InBetween0.010.020.01310.0007.031115.572NANANANANA
1699libgromacs_mpi.so.7 - grid.cpp:1068-1087 [...]Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t*, gmx::Range<int>, gmx::ArrayRef<int>)Innermost0.010.020250.0017.3911.962.5618.36221101
15352libgromacs_mpi.so.7 - pme_spread.cpp:574-702 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]InBetween0.010.020270.0014.0517.946.8111.232NANANANANA
3797libgromacs_mpi.so.7 - localtopology.cpp:737-787 [...]void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...Outermost0.010.020300.0009.451133.862NANANANANA
14915libgromacs_mpi.so.7 - utilities.h:56-57 [...]calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdatoms const*, t_fcdata...InBetween0.010.020.01300.0011.7613.053.331.047.842NANANANANA
3181libgromacs_mpi.so.7 - pairlist.cpp:3008-3008 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.010.030.01450.005018.75215.33301100
13366libgromacs_mpi.so.7 - stl_vector.h:378-1899 [...]gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52]Innermost0.010.020.01410.00011.761113.192NANANANANA
80gmx_mpi - quicksortOutermost0.010.020280.0044.4416.671.3819.78210120
4535libgromacs_mpi.so.7 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.010.020320.0088.8990.28111211000
14765libgromacs_mpi.so.7 - bonded.cpp:196-2327 [...]float (anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*, t_oriresdata*, in...Single0.010.090.012990.001.719.2422.5113.654.520020
13326libgromacs_mpi.so.7 - lincs.cpp:1215-1223gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Single0.010.020.0149103.0006.251116212100
3196libgromacs_mpi.so.7 - pairlist.cpp:272-276PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.010.020350.0006.2512.2216210000
13364libgromacs_mpi.so.7 - lincs.cpp:1705-1715 [...]gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted]Innermost0.010.020250.00011.98119.9221003.67
13334libgromacs_mpi.so.7 - lincs.cpp:1098-1098 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Single0.010.020.013364.001001001.0611203000
14924libgromacs_mpi.so.7 - manage_threading.cpp:125-162 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)InBetween0.010.270.0110.0008.931114.221NANANANANA
4523libgromacs_mpi.so.7 - threaded_force_buffer.cpp:122-122 [...]gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)Single0.010.010290.0010025114101000
14914libgromacs_mpi.so.7 - utilities.h:56-57 [...]calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdatoms const*, t_fcdata...Innermost0.010.020370.00011.551111.432001.6700
3209libgromacs_mpi.so.7 - stl_vector.h:1280-1289 [...]rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]Innermost0.010.030.01410.0022.514.33.62110.39330.5120.5
3230libgromacs_mpi.so.7 - stl_algobase.h:918-919std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>...Single0.010.020.01380.00012.5118210100
15372libgromacs_mpi.so.7 - pme_spread.cpp:188-988 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]Outermost0.010.020.01361.0020.5922.73.491.581.332NANANANANA
15446libgromacs_mpi.so.7 - fft5d.cpp:943-1166 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.020.01360.0008.921.61114.32220010
15412libgromacs_mpi.so.7 - fft.cpp:115-123gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)Single0.010.030.0151864.000101114.86310000
1619libgromacs_mpi.so.7 - atomdata.cpp:1106-1111 [...]nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]InBetween0.010.130.01170.0040.8346.382.511.134.3300.50.51.750
15170libgromacs_mpi.so.7 - pme_grid.cpp:502-504unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.010.420.0110.0006.251116102000
14939libgromacs_mpi.so.7 - manage_threading.cpp:365-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]Innermost0.010.020.01340.00012.5118201010
3793libgromacs_mpi.so.7 - localtopology.cpp:103-700 [...]int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...Outermost0.010.020.01400.0009.381114.052NANANANANA
15373libgromacs_mpi.so.7 - pme_spread.cpp:439-447spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]InBetween0.010.020.01400.00012.071110.0321.75001.50
15395libgromacs_mpi.so.7 - pme_spread.cpp:197-199spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]Innermost0.010.020240.0010050112202000
13369libgromacs_mpi.so.7 - lincs.cpp:1255-1324 [...]gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]InBetween0.010.030.01439.0007.342.082.5314.773NANANANANA
15285libgromacs_mpi.so.7 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.030.01501184.0010090.32111.14306000
3167libgromacs_mpi.so.7 - pairlist.cpp:1981-1985 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.010.030.01430.0006.731115.613NANANANANA
14818libgromacs_mpi.so.7 - bonded.cpp:2960-3032 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...Single0.010.040.012661.0038.6113.991.821.717.91420040
1068libgromacs_mpi.so.7 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.010.030.0143976.0096.8389.09111.02331122
81gmx_mpi - quicksortInnermost0.010.020.01358.0012.514.061.4417.4210.50.500.5
15281libgromacs_mpi.so.7 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020.01522204.0093.3393.75111.08203000
3812libgromacs_mpi.so.7 - stl_vector.h:1145-1145 [...]int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int...InBetween0.010.020260.0008.331115.362NANANANANA
3175libgromacs_mpi.so.7 - pairlist.cpp:607-1420 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]InBetween0.010.020.01390.0008.331115.272NANANANANA
3165libgromacs_mpi.so.7 - pairlist.cpp:1991-1995 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]Innermost0.010.030.01400.0006.511115.673NANANANANA
1704libgromacs_mpi.so.7 - grid.cpp:329-407 [...]Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Outermost0.010.020270.00073.553.2915.342NANANANANA
1542libgromacs_mpi.so.7 - kernel_prune.cpp:76-158 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.010.030.01522000.0019.920.811.5112.07310.67031
15289libgromacs_mpi.so.7 - pme_solve.cpp:473-475solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020330.00100100111202000
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