options

Loops Index

254 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 0.50% 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...Innermost22.6222.629.999.995.305.306489.1282.65111.061.4720124
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...Innermost8.788.784.954.952.062.066488.3482.68111.071.8820124
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...Innermost4.234.231.891.890.990.996487.8284.2111.071.4820151
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)Outermost2.232.231.811.810.520.523265.7137.541.421.071.341.35NANANANANA
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...Innermost1.561.560.900.900.370.376388.6785.3111.041.8920142
17547libgromacs_mpi.so.9.0.0 - pme_spread.cpp:358-400 [...].omp_outlined..2InBetween1.051.050.870.870.250.253280.1721.691.461.293.371.38NANANANANA
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...Innermost0.840.840.390.390.200.20648781.1111.081.5431061
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...Outermost0.8234.320.3310.970.198.046468.6741.671.271.031.391.35NANANANANA
17641libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.810.810.600.600.190.1932012.51181.2410050
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...Innermost0.740.740.480.480.170.176287.8782.37111.072.1331061
17554libgromacs_mpi.so.9.0.0 - pme_spread.cpp:277-975 [...].omp_outlined..2InBetween0.700.700.670.670.160.16328.668.0212.416.981.59NANANANANA
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)Innermost0.680.680.260.260.160.166495.4589.21.05111.2711020
1751libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4104 [...].omp_outlined..9#0x65dd70InBetween0.671.520.290.560.160.36648.3310.163.312.496.51.44NANANANANA
1323libgromacs_mpi.so.9.0.0 - atomdata.cpp:226-233copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.600.600.310.310.140.146406.251.32111.381.7401211
1395libgromacs_mpi.so.9.0.0 - pme_spread.cpp:104-145 [...].omp_outlined.#0xc138b0Innermost0.520.520.470.470.120.123215.389.781.542.288.461.4914126
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...Innermost0.480.480.460.460.110.113296.8186.37111.091.6120123
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...Single0.430.430.210.210.100.106499.8195.961.01111.62103037
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*,...Outermost0.400.450.240.280.090.116096.893.681.0311.031.8330220
14954libgromacs_mpi.so.9.0.0 - lincs.cpp:425-440 [...]gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, flo...Single0.370.370.280.280.090.096127.7811.1111.165.332.4301052
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>)InBetween0.360.690.210.400.080.16619.0910.2323.0814.451.87NANANANANA
1872libgromacs_mpi.so.9.0.0 - kernel_common.cpp:56-76 [...]clearForceBuffer(nbnxn_atomdata_t*, int)Single0.340.340.220.220.080.086470.5938.971122.13NANANANANA
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*...Outermost0.340.370.190.210.080.096188.9957.261.011.061.291.792030.56
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>)Innermost0.330.330.230.230.080.086006.2513.37162.1902001
1764libgromacs_mpi.so.9.0.0 - pairlist.cpp:3503-3505 [...].omp_outlined..9#0x65dd70Innermost0.320.320.160.160.070.076406.251.11.4913.541.6800100
14926libgromacs_mpi.so.9.0.0 - lincs.cpp:845-857 [...].omp_outlined..37Single0.290.290.220.220.070.076277.4666.731.0211.22.5154011
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)Innermost0.290.290.400.400.070.07248.338.651.11.717.471.74NANANANANA
1757libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:130-174 [...].omp_outlined..9#0x65dd70Innermost0.270.270.130.130.060.066477.2443.841.061.181.491.592001.50
1402libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:96-103.omp_outlined.#0xc0af60Innermost0.220.220.270.270.050.053206.253182.0702100
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...Outermost0.210.260.140.170.050.066084.3345.451.021.091.6622.50213
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>)Innermost0.200.200.560.560.050.05806.911.3316.891.16240.510.5
17648libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.200.200.160.160.050.0532012.51181.3512000
17636libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.190.190.180.180.040.0432012.51181.6320010
17635libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.180.180.150.150.040.0432012.51181.4311010
17647libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.180.180.170.170.040.0432012.51181.6612000
1603libgromacs_mpi.so.9.0.0 - atomdata.cpp:1137-1143 [...].omp_outlined..28Innermost0.170.170.090.090.040.046406.2511.088.421.7202001
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...Single0.170.170.110.110.040.046117.219.671.651.296.752.08NANANANANA
15389libgromacs_mpi.so.9.0.0 - update.cpp:1703-1706 [...].omp_outlined..65Single0.160.160.090.090.040.046308.33115.651.7920200
14921libgromacs_mpi.so.9.0.0 - lincs.cpp:966-992 [...].omp_outlined..37Innermost0.160.160.110.110.040.046268.5758.391.0211.352.2114409
2993libgromacs_mpi.so.9.0.0 - domdec.cpp:415-419 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)Innermost0.160.160.280.280.040.041606.251.31.36.711.4812010
17308libgromacs_mpi.so.9.0.0 - pme_grid.cpp:402-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.150.150.140.140.040.043210050111.331.5302000
17545libgromacs_mpi.so.9.0.0 - pme_spread.cpp:445-447.omp_outlined..2Innermost0.140.140.160.160.030.033210050111.332.0302000
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...Innermost0.130.130.070.070.030.036487.6783.96111.061.8131070
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...Innermost0.130.130.100.100.030.036287.9684.76111.042.5631151
1425libgromacs_mpi.so.9.0.0 - sim_util.cpp:475-475 [...].omp_outlined.#0xb2b860Single0.120.120.080.080.030.0364509.38216.862.1810100
1756libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:185-229 [...].omp_outlined..9#0x65dd70Innermost0.110.110.070.070.030.036475.7335.481.151.341.791.951.6700.3310
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...Outermost0.116.230.072.110.031.466459.4337.821.271.081.552.12NANANANANA
17419libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:455-468 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Single0.110.110.330.330.030.03806.641.4416.691.281201.51
1388libgromacs_mpi.so.9.0.0 - pme_spread.cpp:172-174.omp_outlined.#0xc138b0Innermost0.100.100.110.110.020.023206.25116.41.8402001
1607libgromacs_mpi.so.9.0.0 - atomdata.cpp:1073-1075 [...].omp_outlined..30Innermost0.100.100.060.060.020.02641001001112.0601001
17440libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-233 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.090.090.100.100.020.02329696.25111.071.7813000
1763libgromacs_mpi.so.9.0.0 - pairlist.cpp:3518-3520 [...].omp_outlined..9#0x65dd70Innermost0.090.090.080.080.020.023806.251.11.4913.541.9400100
14925libgromacs_mpi.so.9.0.0 - lincs.cpp:1135-1137 [...].omp_outlined..37Innermost0.080.080.080.080.020.025922.2210.4211.125.332.9913010
17446libgromacs_mpi.so.9.0.0 - pme_solve.cpp:498-510solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.080.090.090.020.02323.857.9313.067.261.8406000
1404libgromacs_mpi.so.9.0.0 - pme_pp.cpp:612-612 [...].omp_outlined.#0xc099f0Single0.080.080.040.040.020.026328.5711.611.121.335.331.8230200
17441libgromacs_mpi.so.9.0.0 - pme_solve.cpp:533-542solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.080.080.080.020.02326.677.515.4481.7403000
17443libgromacs_mpi.so.9.0.0 - pme_solve.cpp:521-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.080.070.070.020.02326.677.515.581.6603000
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...Innermost0.070.070.100.100.020.023296.0388.34111.062.2420132
4165libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:209-211 [...].omp_outlined..17Innermost0.070.070.100.100.020.02554012.512.129.64.0111001
1599libgromacs_mpi.so.9.0.0 - atomdata.cpp:973-982 [...].omp_outlined.Innermost0.070.070.040.040.020.0263010.94114.622.1441011
1750libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4104 [...].omp_outlined..9#0x65dd70InBetween0.061.580.050.580.010.37624.177.361.471.527.32.81NANANANANA
15002libgromacs_mpi.so.9.0.0 - md_support.cpp:181-209 [...].omp_outlined..4Innermost0.060.060.040.040.010.016238.4621.631.061.292.22.312110
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...Single0.060.060.050.050.010.015721.899.761.311.586.132.382005.670.67
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...Innermost0.050.050.050.050.010.015507.921.221.167.3330.50111.5
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*,...Innermost0.050.050.040.040.010.015113.139.322.0819.822.320010.51
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...Single0.050.050.040.040.010.016299.8496.711.01112.58203030
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*)Innermost0.050.050.100.100.010.011508.33116.151.5901110
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...Innermost0.050.050.060.060.010.013194.985.01111.062.0131123
1753libgromacs_mpi.so.9.0.0 - vector.tcc:477-504 [...].omp_outlined..9#0x65dd70InBetween0.050.050.040.040.010.01577.1411.384.718.612.22NANANANANA
14984libgromacs_mpi.so.9.0.0 - pme_spread.cpp:639-641.omp_outlined..4#0xc16230Innermost0.050.050.060.060.010.013206.25119.62.2102000
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...Outermost0.040.080.050.080.010.02499.579.282.841.846.942.92NANANANANA
14924libgromacs_mpi.so.9.0.0 - lincs.cpp:1133-1137 [...].omp_outlined..37Outermost0.040.130.050.100.010.035316.6710.4222.5710.883.17NANANANANA
14991libgromacs_mpi.so.9.0.0 - pme_spread.cpp:695-695.omp_outlined..4#0xc16230Innermost0.040.040.060.060.010.012910050111.332.3102000
15415libgromacs_mpi.so.9.0.0 - update.cpp:498-501 [...].omp_outlined..70Single0.040.040.030.030.010.015984.6286.541.1111.12.1925000
1428libgromacs_mpi.so.9.0.0 - mdatoms.cpp:268-438 [...].omp_outlined.#0xb09d40Outermost0.040.040.030.030.010.01588.228.631.711.895.972.2NANANANANA
17521libgromacs_mpi.so.9.0.0 - pme_spread.cpp:876-878spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int)Innermost0.040.040.130.130.010.01810050111.21.2902000
4234libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.040.040.040.040.010.0149100501122.2301001
1612libgromacs_mpi.so.9.0.0 - atomdata.cpp:1171-1175 [...].omp_outlined..30Innermost0.040.040.040.040.010.016029.1715.362.8819.523.6110.500.5
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...InBetween0.040.040.040.040.010.0154010.21119.972.9NANANANANA
17640libgromacs_mpi.so.9.0.0 - fft5d.cpp:849-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.040.860.060.640.010.203109.6115.232.35NANANANANA
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*...Outermost0.040.040.050.060.010.013297.3394.41.0311.022.243022.50
17436libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-560 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.040.440.040.340.010.103242.6328.562.171.031.341.9NANANANANA
3355libgromacs_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...Innermost0.040.040.050.050.010.014014.299.383.3619.553.2612101
1737libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4126 [...].omp_outlined..9#0x65dd70InBetween0.031.840.030.650.010.435218.6815.333.771.011.412.52NANANANANA
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*...Innermost0.030.030.030.030.010.014807.231.3319.412.440110.50
1747libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.030.050.020.030.010.015506.99117.022.39NANANANANA
1547libgromacs_mpi.so.9.0.0 - partition.cpp:1436-2050 [...].omp_outlined.#0x6c2070InBetween0.030.030.030.030.010.015211.299.522.241.956.23.31NANANANANA
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...Innermost0.030.030.030.030.010.01491.967.351.31.187.822.6720031
1735libgromacs_mpi.so.9.0.0 - pairlist.cpp:233-4126 [...].omp_outlined..9#0x65dd70InBetween0.030.080.030.050.010.025112.210.981.711.432.192.86NANANANANA
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*)Innermost0.030.030.170.170.010.01906.251.431.436.4311120
15303libgromacs_mpi.so.9.0.0 - sim_util.cpp:151-151 [...].omp_outlined..73Single0.030.030.020.020.010.014728.5711.611.331.235.572.4220200
1606libgromacs_mpi.so.9.0.0 - atomdata.cpp:1070-1075 [...].omp_outlined..30InBetween0.020.120.020.060.010.035136.6742.291.3911.172.1901.501.50
17437libgromacs_mpi.so.9.0.0 - pme_solve.cpp:556-560solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.040.040.010.012910058.3311.31.372.902000
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])Single0.020.020.020.020.010.014906.25119.62.8210200
17444libgromacs_mpi.so.9.0.0 - pme_solve.cpp:523-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.030.030.000.0030100501112.213000
1768libgromacs_mpi.so.9.0.0 - pairlist.cpp:291-293 [...].omp_outlined..9#0x65dd70Innermost0.020.020.030.030.000.004106.251.11.7314.673.1910000
4164libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:207-211 [...].omp_outlined..17InBetween0.020.090.020.100.000.024309.381.5113.712.870.502.750.50
1752libgromacs_mpi.so.9.0.0 - pairlist.cpp:3113-3113 [...].omp_outlined..9#0x65dd70Innermost0.020.020.010.010.000.00425018.75116.861.7501100
1744libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.020.080.020.040.000.023806.25116.672.37NANANANANA
1769libgromacs_mpi.so.9.0.0 - pairlist.cpp:282-286 [...].omp_outlined..9#0x65dd70Innermost0.020.020.020.020.000.004506.251.221.7314.672.8110000
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)Outermost0.020.700.020.260.000.164423.5524.61.0111.712.750.670.671.672.671
1745libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.020.020.010.020.000.003907.08117.261.83NANANANANA
17646libgromacs_mpi.so.9.0.0 - fft5d.cpp:783-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.020.390.030.300.000.092809.81118.373.161.75001.50
1748libgromacs_mpi.so.9.0.0 - pairlist.cpp:1341-1347 [...].omp_outlined..9#0x65dd70Innermost0.020.020.010.010.000.004306.2511162.1500001
14985libgromacs_mpi.so.9.0.0 - pme_spread.cpp:641-641.omp_outlined..4#0xc16230Innermost0.010.010.020.020.000.002610050111.21.8202000
4171libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:182-186 [...].omp_outlined..17Innermost0.010.010.010.010.000.003743.3316.612.1317.771.9810.252.502
1605libgromacs_mpi.so.9.0.0 - atomdata.cpp:1017-1187 [...].omp_outlined..30InBetween0.010.180.010.100.000.04402513.542.71113.812.18NANANANANA
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)Innermost0.010.010.040.040.000.001408.33116.151.8101110
17642libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.010.010.030.030.000.0024012.51182.3500020
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>)Single0.010.010.020.020.000.003806.621115.522.98NANANANANA
14996libgromacs_mpi.so.9.0.0 - pme_spread.cpp:700-702.omp_outlined..4#0xc16230Innermost0.010.010.020.020.000.002606.251.171.1711.22.6502000
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)Innermost0.010.010.030.030.000.001408.33116.15201110
3484libgromacs_mpi.so.9.0.0 - ga2la.h:158-158gmx::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*, ...Single0.010.010.040.040.000.0015100501122.1900400
1767libgromacs_mpi.so.9.0.0 - pairlist.cpp:282-286 [...].omp_outlined..9#0x65dd70Innermost0.010.010.020.020.000.003106.251.091.88162.6410000
17442libgromacs_mpi.so.9.0.0 - pme_solve.cpp:535-542solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010.020.020.000.0027100501111.7623000
14251libgromacs_mpi.so.9.0.0 - pme_grid.cpp:537-539.omp_outlined..3#0xc01c30Innermost0.010.010.030.030.000.002206.2511162.9302000
16908libgromacs_mpi.so.9.0.0 - 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...Outermost0.010.040.020.040.000.01285.5610.425.3619.522.49NANANANANA
1736libgromacs_mpi.so.9.0.0 - pairlist.cpp:233-4126 [...].omp_outlined..9#0x65dd70InBetween0.010.110.010.060.000.03327.419.491.691.522.072.18NANANANANA
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...Outermost0.010.020.010.020.000.003509.277.2618.32.39NANANANANA
1778libgromacs_mpi.so.9.0.0 - pairlist.cpp:2082-2086 [...].omp_outlined..9#0x65dd70Innermost0.010.010.010.010.000.0033010.58115.332.3NANANANANA
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...Outermost0.010.050.020.050.000.0130010.61117.492.09NANANANANA
17449libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-233 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010.010.010.000.00239696.25111.071.6813000
1766libgromacs_mpi.so.9.0.0 - pairlist.cpp:291-293 [...].omp_outlined..9#0x65dd70Innermost0.010.010.010.010.000.003006.251.11.7314.672.210000
1567libgromacs_mpi.so.9.0.0 - domdec_constraints.cpp:206-252 [...].omp_outlined.#0x69eab0InBetween0.010.020.020.020.000.00282.948.272.6717.632.73NANANANANA
1795libgromacs_mpi.so.9.0.0 - grid.cpp:1070-1089 [...]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>)Innermost0.010.010.020.020.000.00322512.192.414.82.421101
14914libgromacs_mpi.so.9.0.0 - lincs.cpp:1265-1273.omp_outlined..37Single0.010.010.010.010.000.002606.25119.03212100
1776libgromacs_mpi.so.9.0.0 - pairlist.cpp:2092-2096 [...].omp_outlined..9#0x65dd70Innermost0.010.010.010.010.000.002909.06115.932.23NANANANANA
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