options

Loops Index

259 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 0.53% 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

▼Columns Filter

Level Exclusive coverage run_0 (%) Inclusive coverage run_0 (%) Max Exclusive Time Over Threads run_0 (s) Max Inclusive Time Over Threads run_0 (s) Exclusive Time w.r.t. Wall Time run_0 (s) Inclusive Time w.r.t. Wall Time run_0 (s) Nb Threads run_0 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing run_0 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelExclusive coverage run_0 (%)Inclusive coverage run_0 (%)Max Exclusive Time Over Threads run_0 (s)Max Inclusive Time Over Threads run_0 (s)Exclusive Time w.r.t. Wall Time run_0 (s)Inclusive Time w.r.t. Wall Time run_0 (s)Nb Threads run_0Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing run_0Stride 0Stride 1Stride nStride UnknownStride Indirect
839libgromacs_mpi.so.9.0.0 - simd_kernel.h:476-476 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost17.0317.038.388.383.643.646489.1282.65111.061.5520124
837libgromacs_mpi.so.9.0.0 - simd_kernel.h:497-497 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost6.586.584.914.911.401.406488.3482.68111.072.3520124
846libgromacs_mpi.so.9.0.0 - simd_kernel.h:476-476 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost3.093.091.531.530.660.666487.8284.2111.071.5620151
14221libgromacs_mpi.so.9.0.0 - calc_verletbuf.cpp:606-849 [...]energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const&, pot_derivatives_t const&, pot_derivatives_t const&, float, float, float, int, float)Innermost2.342.340.750.750.500.50968.338.651.11.717.471.51NANANANANA
17265libgromacs_mpi.so.9.0.0 - pme_gather.cpp:103-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost1.881.881.511.510.400.403265.7137.541.421.071.341.27NANANANANA
844libgromacs_mpi.so.9.0.0 - simd_kernel.h:497-497 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost1.181.180.870.870.250.256488.6785.3111.042.3420142
17547libgromacs_mpi.so.9.0.0 - pme_spread.cpp:358-400 [...].omp_outlined..2InBetween1.031.030.930.930.220.223280.1721.691.461.293.371.42NANANANANA
834libgromacs_mpi.so.9.0.0 - simd_kernel.h:273-545 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Outermost0.9926.460.399.110.215.656468.6741.671.271.031.391.26NANANANANA
840libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:70-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.730.730.400.400.160.16648781.1111.081.731061
17554libgromacs_mpi.so.9.0.0 - pme_spread.cpp:277-975 [...].omp_outlined..2InBetween0.660.660.630.630.140.14328.668.0212.416.981.51NANANANANA
17635libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.650.650.640.640.140.1432012.51181.5611010
17636libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.630.630.560.560.140.1432012.51181.3920010
838libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:70-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.600.600.550.550.130.136287.8782.37111.072.8331061
2672libgromacs_mpi.so.9.0.0 - simd_prune_kernel.cpp:144-204 [...]void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.510.510.210.210.110.116495.4589.21.05111.3111020
835libgromacs_mpi.so.9.0.0 - simd_kernel.h:518-518 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.470.470.500.500.100.103196.8186.37111.091.6220123
17641libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.430.430.340.340.090.0932012.51181.2410050
16801libgromacs_mpi.so.9.0.0 - 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*,...Outermost0.390.450.340.380.080.105796.893.681.0311.032.4230220
14950libgromacs_mpi.so.9.0.0 - lincs.cpp:290-292gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)Innermost0.370.370.290.290.080.085806.2513.37162.2602001
15263libgromacs_mpi.so.9.0.0 - settle.cpp:425-425 [...]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...Single0.360.360.190.190.080.086499.8195.961.01111.66103136
17648libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.360.360.320.320.080.0832012.51181.412000
17647libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.330.330.300.300.070.0732012.51181.4312000
16790libgromacs_mpi.so.9.0.0 - bonded.cpp:1151-1185 [...]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*...Outermost0.330.360.290.310.070.085888.9957.261.011.061.292.512030.56
14948libgromacs_mpi.so.9.0.0 - lincs.cpp:284-295 [...]gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)InBetween0.330.700.280.520.070.15599.0910.2323.0814.452.47NANANANANA
1751libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4104 [...].omp_outlined..9#0x65dd70InBetween0.320.950.140.380.070.20648.3310.163.312.496.51.44NANANANANA
14926libgromacs_mpi.so.9.0.0 - lincs.cpp:845-857 [...].omp_outlined..37Single0.300.300.230.230.060.065877.4666.731.0211.22.24154011
14952libgromacs_mpi.so.9.0.0 - lincs.cpp:376-391 [...]gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])Single0.270.270.200.200.060.065627.7811.1111.1152.0702121
1323libgromacs_mpi.so.9.0.0 - atomdata.cpp:226-233copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.260.260.140.140.060.066406.251.32111.381.6701211
1603libgromacs_mpi.so.9.0.0 - atomdata.cpp:1137-1143 [...].omp_outlined..28Innermost0.250.250.170.170.050.056406.2511.088.422.1102001
2993libgromacs_mpi.so.9.0.0 - domdec.cpp:415-419 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)Innermost0.230.230.120.120.050.056406.251.31.36.711.6112010
17097libgromacs_mpi.so.9.0.0 - pairs.cpp:873-911 [...]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 const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...Outermost0.220.280.230.260.050.065684.3345.451.021.091.662.832.50213
1757libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:130-174 [...].omp_outlined..9#0x65dd70Innermost0.220.220.120.120.050.056477.2443.841.061.181.491.732001.50
17425libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:345-367 [...]do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)Innermost0.210.210.190.190.050.053206.911.3316.891.41240.510.5
1394libgromacs_mpi.so.9.0.0 - pme_spread.cpp:104-133 [...].omp_outlined.#0xc138b0Innermost0.200.200.180.180.040.043218.189.6611.626.241.413005
17419libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:455-468 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Single0.180.180.170.170.040.043206.641.4416.691.531201.51
14921libgromacs_mpi.so.9.0.0 - lincs.cpp:966-992 [...].omp_outlined..37Innermost0.170.170.140.140.040.045768.5758.391.0211.352.1714409
1764libgromacs_mpi.so.9.0.0 - pairlist.cpp:3503-3505 [...].omp_outlined..9#0x65dd70Innermost0.140.140.130.130.030.036406.251.11.4913.542.8900100
1402libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:96-103.omp_outlined.#0xc0af60Innermost0.140.140.130.130.030.033206.253181.4502100
841libgromacs_mpi.so.9.0.0 - simd_kernel.h:273-555 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Outermost0.134.680.071.640.031.006459.4337.821.271.081.551.85NANANANANA
1403libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:111-118.omp_outlined.#0xc0af60Innermost0.130.130.140.140.030.033206.254181.7901200
17640libgromacs_mpi.so.9.0.0 - fft5d.cpp:849-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.130.570.120.450.030.123209.6115.231.5NANANANANA
1763libgromacs_mpi.so.9.0.0 - pairlist.cpp:3518-3520 [...].omp_outlined..9#0x65dd70Innermost0.120.120.090.090.030.036406.251.11.4913.542.2700100
1756libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:185-229 [...].omp_outlined..9#0x65dd70Innermost0.110.110.070.070.020.026475.7335.481.151.341.792.081.6700.3310
845libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:70-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.110.110.100.100.020.025787.9684.76111.042.6931151
847libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:70-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.110.110.080.080.020.026487.6783.96111.062.3731070
17440libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-233 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.090.090.090.090.020.02329696.25111.071.5613000
2989libgromacs_mpi.so.9.0.0 - domdec.cpp:289-291 [...]dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)Innermost0.090.090.060.060.020.026208.33116.152.2601110
17095libgromacs_mpi.so.9.0.0 - 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 const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...Single0.080.080.100.100.020.025117.219.671.651.296.753NANANANANA
17416libgromacs_mpi.so.9.0.0 - pme_pp.cpp:604-604 [...]gmx_pme_receive_f(gmx::PmePpCommGpu*, t_commrec const*, gmx::ForceWithVirial*, float*, float*, float*, float*, bool, bool, float*)Single0.080.080.050.050.020.026328.5711.611.121.335.331.9720200
17446libgromacs_mpi.so.9.0.0 - pme_solve.cpp:498-510solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.080.080.080.020.02323.857.9313.067.261.6206000
14925libgromacs_mpi.so.9.0.0 - lincs.cpp:1135-1137 [...].omp_outlined..37Innermost0.080.080.080.080.020.025622.2210.4211.125.332.8713010
17443libgromacs_mpi.so.9.0.0 - pme_solve.cpp:521-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.070.070.090.090.010.01326.677.515.582.1303000
1428libgromacs_mpi.so.9.0.0 - mdatoms.cpp:268-438 [...].omp_outlined.#0xb09d40Outermost0.070.070.060.060.010.02648.228.631.711.895.972.96NANANANANA
17441libgromacs_mpi.so.9.0.0 - pme_solve.cpp:533-542solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.070.070.080.080.010.01326.677.515.4481.8403000
3351libgromacs_mpi.so.9.0.0 - localtopology.cpp:323-577 [...]int assignInteractionsForAtom<false>(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>, In...Outermost0.070.130.070.100.010.03549.579.282.841.846.943.03NANANANANA
842libgromacs_mpi.so.9.0.0 - simd_kernel.h:518-518 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.060.060.120.120.010.013096.0388.34111.062.7920132
16899libgromacs_mpi.so.9.0.0 - functions.h:164-321 [...]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...Single0.060.060.070.070.010.015521.899.761.311.586.133.172005.670.67
16802libgromacs_mpi.so.9.0.0 - bonded.cpp:2072-2087std::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*,...Innermost0.060.060.060.060.010.015013.139.322.0819.822.780010.51
836libgromacs_mpi.so.9.0.0 - simd_kernel.h:510-513 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.050.050.090.090.010.012994.985.01111.062.3831123
17098libgromacs_mpi.so.9.0.0 - pairs.cpp:879-904 [...]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 const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...Innermost0.050.050.050.050.010.015407.921.221.167.332.710.50111.5
15389libgromacs_mpi.so.9.0.0 - update.cpp:1703-1706 [...].omp_outlined..65Single0.050.050.030.030.010.016108.33115.652.0620200
17303libgromacs_mpi.so.9.0.0 - pme_grid.cpp:303-309 [...]copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)Innermost0.050.050.070.070.010.013210050111.332.1702000
3353libgromacs_mpi.so.9.0.0 - localtopology.cpp:506-531 [...]int assignInteractionsForAtom<false>(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>, In...InBetween0.050.060.050.050.010.0151NANANANANA2.49NANANANANA
17308libgromacs_mpi.so.9.0.0 - pme_grid.cpp:402-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.050.050.060.060.010.013110050111.331.9802000
1547libgromacs_mpi.so.9.0.0 - partition.cpp:1436-2050 [...].omp_outlined.#0x6c2070InBetween0.050.050.040.040.010.016211.299.522.241.956.22.44NANANANANA
14924libgromacs_mpi.so.9.0.0 - lincs.cpp:1133-1137 [...].omp_outlined..37Outermost0.050.120.050.120.010.034716.6710.4222.5710.882.46NANANANANA
15264libgromacs_mpi.so.9.0.0 - settle.cpp:425-657 [...]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...Single0.050.050.040.040.010.015699.8496.711.01112.07203030
15002libgromacs_mpi.so.9.0.0 - md_support.cpp:181-209 [...].omp_outlined..4Innermost0.050.050.040.040.010.016038.4621.631.061.292.22.2312110
17436libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-560 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.050.430.070.360.010.093242.6328.562.171.031.342.27NANANANANA
1737libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4126 [...].omp_outlined..9#0x65dd70InBetween0.041.240.030.480.010.266018.6815.333.771.011.412.26NANANANANA
1753libgromacs_mpi.so.9.0.0 - vector.tcc:477-504 [...].omp_outlined..9#0x65dd70InBetween0.040.040.030.030.010.01607.1411.384.718.612.28NANANANANA
2987libgromacs_mpi.so.9.0.0 - domdec.cpp:297-302 [...]dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)Innermost0.040.040.050.050.010.014206.251.431.436.42.7511120
15415libgromacs_mpi.so.9.0.0 - update.cpp:498-501 [...].omp_outlined..70Single0.040.040.030.030.010.015584.6286.541.1111.12.2125000
14220libgromacs_mpi.so.9.0.0 - calc_verletbuf.cpp:606-849 [...]energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const&, pot_derivatives_t const&, pot_derivatives_t const&, float, float, float, int, float)Outermost0.032.380.030.740.010.51738.188.6911.977.223.15NANANANANA
16791libgromacs_mpi.so.9.0.0 - bonded.cpp:1157-1178 [...]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*...Innermost0.030.030.030.030.010.014907.231.3319.412.60110.50
1750libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4104 [...].omp_outlined..9#0x65dd70InBetween0.030.990.020.390.010.21554.177.361.471.527.32.12NANANANANA
17646libgromacs_mpi.so.9.0.0 - fft5d.cpp:783-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.030.720.040.560.010.153009.81118.372.111.75001.50
16909libgromacs_mpi.so.9.0.0 - 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...Innermost0.030.030.040.040.010.01431.967.351.31.187.822.7520031
3329libgromacs_mpi.so.9.0.0 - range.h:123-123 [...]void make_exclusions_zone<false>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx...InBetween0.030.060.020.040.010.0153010.21119.972.17NANANANANA
1797libgromacs_mpi.so.9.0.0 - grid.cpp:416-421Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Single0.030.030.020.020.010.015606.621115.522.31NANANANANA
16803libgromacs_mpi.so.9.0.0 - 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*...Outermost0.030.040.040.040.010.012897.3394.41.0311.022.13022.50
3330libgromacs_mpi.so.9.0.0 - hashedmap.h:277-282 [...]void make_exclusions_zone<false>(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...Innermost0.030.030.020.020.010.015906.2511162.5400010
1599libgromacs_mpi.so.9.0.0 - atomdata.cpp:973-982 [...].omp_outlined.Innermost0.030.030.020.020.010.0154010.94114.622.4541011
1735libgromacs_mpi.so.9.0.0 - pairlist.cpp:233-4126 [...].omp_outlined..9#0x65dd70InBetween0.030.070.020.050.010.025212.210.981.711.432.191.91NANANANANA
1747libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.020.030.020.030.010.015206.99117.022.57NANANANANA
4169libgromacs_mpi.so.9.0.0 - vec.h:141-147.omp_outlined..17Innermost0.020.020.020.020.000.0043100501.041.0822.4202000
1745libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.020.030.030.030.000.014307.08117.262.9NANANANANA
2671libgromacs_mpi.so.9.0.0 - simd_prune_kernel.cpp:106-213 [...]void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.020.530.020.220.000.114823.5524.61.0111.712.230.670.671.672.671
17437libgromacs_mpi.so.9.0.0 - pme_solve.cpp:556-560solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.020.020.000.002910058.3311.31.371.7502000
3546libgromacs_mpi.so.9.0.0 - hashedmap.h:229-255 [...]gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, ...Outermost0.020.020.020.020.000.004607.51114.42.33NANANANANA
17444libgromacs_mpi.so.9.0.0 - pme_solve.cpp:523-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.030.030.000.0027100501112.0513000
1744libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.020.080.020.050.000.025306.25116.672.72NANANANANA
17298libgromacs_mpi.so.9.0.0 - pme_grid.cpp:123-127gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)Innermost0.020.020.030.030.000.002910050111.332.2602000
17896libgromacs_mpi.so.9.0.0 - md.cpp:232-2136 [...]gmx::LegacySimulator::do_md()Outermost0.020.020.020.020.000.004112.511.863.81.085.132.13NANANANANA
3317libgromacs_mpi.so.9.0.0 - localtopology.cpp:104-701 [...]int make_bondeds_zone<false>(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*, b...Outermost0.020.020.020.020.000.014409.277.2618.32.38NANANANANA
14261libgromacs_mpi.so.9.0.0 - calcvir.cpp:61-67 [...]calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])Single0.020.020.020.020.000.004206.25119.62.310200
4234libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.020.020.030.030.000.0039100501123.2501001
15303libgromacs_mpi.so.9.0.0 - sim_util.cpp:151-151 [...].omp_outlined..73Single0.020.020.020.020.000.004528.5711.611.331.235.572.5420200
3232libgromacs_mpi.so.9.0.0 - stl_iterator.h:1054-1182 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)Innermost0.020.020.030.030.000.003908.33115.653.611110
3234libgromacs_mpi.so.9.0.0 - domdec_specatomcomm.cpp:229-232 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)Innermost0.020.020.020.020.000.003708.33116.152.8501110
14193libgromacs_mpi.so.9.0.0 - calc_verletbuf.cpp:167-548 [...]getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)InBetween0.020.020.010.020.000.004421.6712.734.421.144.312.1NANANANANA
3235libgromacs_mpi.so.9.0.0 - domdec_specatomcomm.cpp:229-232 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector<float>*, gmx::BasicVector<float>*, bool)Innermost0.020.020.020.020.000.003808.33116.153.0601110
17280libgromacs_mpi.so.9.0.0 - pme_grid.cpp:254-256gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)Innermost0.010.010.020.020.000.002910050111.22.4602000
17442libgromacs_mpi.so.9.0.0 - pme_solve.cpp:535-542solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010.030.030.000.0023100501112.4623000
17645libgromacs_mpi.so.9.0.0 - fft5d.cpp:779-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.740.030.590.000.162408.18114.972.62NANANANANA
3325libgromacs_mpi.so.9.0.0 - localtopology.cpp:738-788 [...]void make_exclusions_zone<false>(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...Outermost0.010.070.020.040.000.0235010.61117.493.18NANANANANA
17305libgromacs_mpi.so.9.0.0 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Outermost0.010.060.020.070.000.012409.171113.052.18NANANANANA
17633libgromacs_mpi.so.9.0.0 - fft5d.cpp:908-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.011.310.031.210.000.282408.1115.82.22NANANANANA
3256libgromacs_mpi.so.9.0.0 - hashedmap.h:277-282 [...]setup_specat_communication(gmx_domdec_t*, std::vector<int, std::allocator<int> >*, gmx_domdec_specat_comm_t*, gmx::HashedMap<int>*, int, int, char const*, char const*)Innermost0.010.010.010.010.000.003706.2511162.0900001
1800libgromacs_mpi.so.9.0.0 - grid.cpp:330-408 [...]Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Outermost0.010.020.010.020.000.003807.612.92.615.252.15NANANANANA
1768libgromacs_mpi.so.9.0.0 - pairlist.cpp:291-293 [...].omp_outlined..9#0x65dd70Innermost0.010.010.010.010.000.003806.251.11.7314.672.1910000
4163libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:171-211 [...].omp_outlined..17Outermost0.010.040.010.030.000.013155.2629.772.691131.86NANANANANA
1736libgromacs_mpi.so.9.0.0 - pairlist.cpp:233-4126 [...].omp_outlined..9#0x65dd70InBetween0.010.110.020.060.000.02337.419.491.691.522.071.98NANANANANA
17325libgromacs_mpi.so.9.0.0 - pme_grid.cpp:440-442wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.010.020.020.000.002506.251.171.1711.2202000
14353libgromacs_mpi.so.9.0.0 - constraintrange.cpp:79-152 [...]gmx::constr_recur(gmx::ListOfLists<int> const&, std::array<InteractionList, 94ul> const&, gmx::ArrayRef<t_iparams const>, bool, int, int, int, gmx::ArrayRef<int>, float, float, float*, int*)Outermost0.010.010.010.010.000.00492511.942.411.836.21NANANANANA
1766libgromacs_mpi.so.9.0.0 - pairlist.cpp:291-293 [...].omp_outlined..9#0x65dd70Innermost0.010.010.010.010.000.003506.251.11.7314.672.1910000
2994libgromacs_mpi.so.9.0.0 - domdec.cpp:426-435 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)Innermost0.010.010.020.020.000.002906.251.321.276.93.0922020
1770libgromacs_mpi.so.9.0.0 - pairlist.cpp:233-4126 [...].omp_outlined..9#0x65dd70InBetween0.010.030.010.020.000.01359.0910.262.171.426.142.23NANANANANA
1778libgromacs_mpi.so.9.0.0 - pairlist.cpp:2082-2086 [...].omp_outlined..9#0x65dd70Innermost0.010.010.020.020.000.0031010.58115.332.7NANANANANA
14251libgromacs_mpi.so.9.0.0 - pme_grid.cpp:537-539.omp_outlined..3#0xc01c30Innermost0.010.010.020.020.000.002506.2511162.7202000
1793libgromacs_mpi.so.9.0.0 - grid.cpp:825-836Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)Innermost0.010.010.010.010.000.003207.481114.082.1301002
17634libgromacs_mpi.so.9.0.0 - fft5d.cpp:912-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.011.290.031.190.000.282507.811113.533.331.75001.750
3482libgromacs_mpi.so.9.0.0 - hashedmap.h:292-293gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, ...Single0.010.010.010.010.000.0033100501121.5300100
1771libgromacs_mpi.so.9.0.0 - pairlist.cpp:2868-3308 [...].omp_outlined..9#0x65dd70InBetween0.010.010.010.010.000.00326.678.332.341.918.282.2311.51.500
14914libgromacs_mpi.so.9.0.0 - lincs.cpp:1265-1273.omp_outlined..37Single0.010.010.010.010.000.003006.25119.032.0912100
17642libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.010.010.040.040.000.008012.51181.3700020
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