options

Loops Index

311 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 0.63% 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...Innermost18.5218.525.435.433.023.0212889.1282.65111.061.5220124
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...Innermost6.376.372.532.531.041.0412888.3482.68111.072.0620124
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...Innermost3.403.400.970.970.550.5512887.8284.2111.071.4820151
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)Outermost1.721.720.960.960.280.286465.7137.541.421.071.341.45NANANANANA
713libgromacs_mpi.so.9.0.0 - simd_kernel.h:476-476 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost1.161.160.400.400.190.1912889.2682.89111.041.820124
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...Innermost1.151.150.470.470.190.1912888.6785.3111.042.1120133
17547libgromacs_mpi.so.9.0.0 - pme_spread.cpp:358-400 [...].omp_outlined..2InBetween0.790.790.490.490.130.136480.1721.691.461.293.371.62NANANANANA
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...Outermost0.7427.350.225.790.124.4612868.6741.671.271.031.391.58NANANANANA
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...Innermost0.660.660.230.230.110.111288781.1111.081.7731061
1323libgromacs_mpi.so.9.0.0 - atomdata.cpp:226-233copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.580.580.260.260.100.1012806.251.32111.382.3101211
1751libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4104 [...].omp_outlined..9#0x65dd70InBetween0.581.240.170.300.090.201288.3310.163.312.496.51.52NANANANANA
17641libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.570.570.360.360.090.0964012.51181.6710050
17554libgromacs_mpi.so.9.0.0 - pme_spread.cpp:277-975 [...].omp_outlined..2InBetween0.550.550.330.330.090.09648.668.0212.416.981.56NANANANANA
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)Innermost0.530.530.160.160.090.0912895.4589.21.05111.6211020
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...Innermost0.520.520.500.500.090.095996.8186.37111.092.320123
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...Innermost0.510.510.210.210.080.0812187.8782.37111.072.0731061
1872libgromacs_mpi.so.9.0.0 - kernel_common.cpp:56-76 [...]clearForceBuffer(nbnxn_atomdata_t*, int)Single0.480.480.170.170.080.0812870.5938.971121.89NANANANANA
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)Innermost0.450.450.390.390.070.07488.338.651.11.717.471.66NANANANANA
1395libgromacs_mpi.so.9.0.0 - pme_spread.cpp:104-145 [...].omp_outlined.#0xc138b0Innermost0.410.410.270.270.070.076415.389.781.542.288.461.714126
711libgromacs_mpi.so.9.0.0 - simd_kernel.h:497-497 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.380.380.190.190.060.0612188.5582.99111.062.4220124
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...Single0.360.360.140.140.060.0612899.8195.961.01112.01103037
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>)Innermost0.320.320.160.160.050.0512206.2513.37162.5502001
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*,...Outermost0.310.360.170.200.050.0611996.893.681.0311.032.6230220
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...Single0.310.310.150.150.050.0511827.7811.1111.165.332.3301052
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>)InBetween0.280.600.150.250.050.101159.0910.2323.0814.452.47NANANANANA
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*...Outermost0.270.290.130.140.040.0511788.9957.261.011.061.292.392030.56
1764libgromacs_mpi.so.9.0.0 - pairlist.cpp:3503-3505 [...].omp_outlined..9#0x65dd70Innermost0.260.260.090.090.040.0412806.251.11.4913.541.7800100
1757libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:130-174 [...].omp_outlined..9#0x65dd70Innermost0.250.250.090.090.040.0412877.2443.841.061.181.491.782001.50
14926libgromacs_mpi.so.9.0.0 - lincs.cpp:845-857 [...].omp_outlined..37Single0.250.250.140.140.040.0412077.4666.731.0211.22.75154011
720libgromacs_mpi.so.9.0.0 - simd_kernel.h:476-476 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.220.220.080.080.040.0412888.5684.85111.071.8820151
17648libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.190.190.110.110.030.0364012.51181.5212000
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...Outermost0.180.220.100.110.030.0411084.3345.451.021.091.662.462.50213
17647libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.170.170.130.130.030.0364012.51181.9512000
1603libgromacs_mpi.so.9.0.0 - atomdata.cpp:1137-1143 [...].omp_outlined..28Innermost0.170.170.070.070.030.0312706.2511.088.422.0802001
17636libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.170.170.110.110.030.0364012.51181.7820010
17635libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.160.160.120.120.030.0364012.51181.9411010
1425libgromacs_mpi.so.9.0.0 - sim_util.cpp:475-475 [...].omp_outlined.#0xb2b860Single0.150.150.070.070.020.02126509.38216.862.4910100
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>)Innermost0.150.150.290.290.020.021606.911.3316.891.29240.510.5
2993libgromacs_mpi.so.9.0.0 - domdec.cpp:415-419 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)Innermost0.140.140.160.160.020.023206.251.31.36.711.4312010
17308libgromacs_mpi.so.9.0.0 - pme_grid.cpp:402-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.140.140.090.090.020.026410050111.331.6902000
14921libgromacs_mpi.so.9.0.0 - lincs.cpp:966-992 [...].omp_outlined..37Innermost0.140.140.090.090.020.0211568.5758.391.0211.352.8814409
1402libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:96-103.omp_outlined.#0xc0af60Innermost0.130.130.090.090.020.026406.253181.8302100
15389libgromacs_mpi.so.9.0.0 - update.cpp:1703-1706 [...].omp_outlined..65Single0.130.130.060.060.020.0212808.33115.652.3220200
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...Single0.130.130.080.080.020.0211017.219.671.651.296.752.85NANANANANA
1599libgromacs_mpi.so.9.0.0 - atomdata.cpp:973-982 [...].omp_outlined.Innermost0.110.110.060.060.020.02123010.94114.622.3841011
17419libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:455-468 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Single0.110.110.200.200.020.021606.641.4416.691.241201.51
1607libgromacs_mpi.so.9.0.0 - atomdata.cpp:1073-1075 [...].omp_outlined..30Innermost0.110.110.040.040.020.021241001001112.1301001
17545libgromacs_mpi.so.9.0.0 - pme_spread.cpp:445-447.omp_outlined..2Innermost0.100.100.090.090.020.026410050111.332.2302000
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...Innermost0.100.100.060.060.020.0212487.6783.96111.062.9831070
14991libgromacs_mpi.so.9.0.0 - pme_spread.cpp:695-695.omp_outlined..4#0xc16230Innermost0.100.100.060.060.020.026410050111.331.7302000
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...Innermost0.100.100.070.070.020.0210987.9684.76111.042.9631151
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...Outermost0.094.920.051.050.020.8012559.4337.821.271.081.552.67NANANANANA
718libgromacs_mpi.so.9.0.0 - simd_kernel.h:497-497 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.090.090.050.050.010.0110888.8985.58111.042.7720151
17440libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-233 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.080.050.050.010.01649696.25111.071.713000
1388libgromacs_mpi.so.9.0.0 - pme_spread.cpp:172-174.omp_outlined.#0xc138b0Innermost0.070.070.050.050.010.016406.25116.41.9902001
14925libgromacs_mpi.so.9.0.0 - lincs.cpp:1135-1137 [...].omp_outlined..37Innermost0.070.070.050.050.010.0110322.2210.4211.125.332.6813010
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...Innermost0.070.070.090.090.010.013996.0388.34111.062.0420132
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)Innermost0.070.070.140.140.010.011610050111.21.4202000
4165libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:209-211 [...].omp_outlined..17Innermost0.070.070.050.050.010.011034012.512.129.63.1811001
1756libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:185-229 [...].omp_outlined..9#0x65dd70Innermost0.070.070.040.040.010.0111775.7335.481.151.341.792.541.6700.3310
17446libgromacs_mpi.so.9.0.0 - pme_solve.cpp:498-510solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.060.060.070.070.010.01643.857.9313.067.262.7906000
1404libgromacs_mpi.so.9.0.0 - pme_pp.cpp:612-612 [...].omp_outlined.#0xc099f0Single0.060.060.040.040.010.0111528.5711.611.121.335.332.9730200
17441libgromacs_mpi.so.9.0.0 - pme_solve.cpp:533-542solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.060.060.060.060.010.01626.677.515.4482.3103000
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*)Innermost0.060.060.080.080.010.013108.33116.151.7801110
17443libgromacs_mpi.so.9.0.0 - pme_solve.cpp:521-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.060.060.040.040.010.01646.677.515.582.0903000
1750libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4104 [...].omp_outlined..9#0x65dd70InBetween0.051.290.040.310.010.211124.177.361.471.527.32.97NANANANANA
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...Single0.050.050.040.040.010.019321.899.761.311.586.132.982005.670.67
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*,...Innermost0.050.050.040.040.010.019213.139.322.0819.822.670010.51
17640libgromacs_mpi.so.9.0.0 - fft5d.cpp:849-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.040.630.040.390.010.106409.6115.232.38NANANANANA
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...Single0.040.040.030.030.010.019799.8496.711.01112.73203030
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...Innermost0.040.040.030.030.010.018307.921.221.167.332.620.50111.5
15002libgromacs_mpi.so.9.0.0 - md_support.cpp:181-209 [...].omp_outlined..4Innermost0.040.040.030.030.010.0110138.4621.631.061.292.23.2112110
1428libgromacs_mpi.so.9.0.0 - mdatoms.cpp:268-438 [...].omp_outlined.#0xb09d40Outermost0.040.040.020.020.010.011018.228.631.711.895.972.67NANANANANA
709libgromacs_mpi.so.9.0.0 - simd_kernel.h:518-518 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.040.040.050.050.010.013596.9186.79111.061.920123
15415libgromacs_mpi.so.9.0.0 - update.cpp:498-501 [...].omp_outlined..70Single0.040.040.030.030.010.019284.6286.541.1111.12.5325000
708libgromacs_mpi.so.9.0.0 - simd_kernel.h:273-545 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Outermost0.041.680.020.410.010.279368.6741.671.271.031.392.63NANANANANA
1753libgromacs_mpi.so.9.0.0 - vector.tcc:477-504 [...].omp_outlined..9#0x65dd70InBetween0.040.040.020.020.010.01977.1411.384.718.612.76NANANANANA
1763libgromacs_mpi.so.9.0.0 - pairlist.cpp:3518-3520 [...].omp_outlined..9#0x65dd70Innermost0.030.030.050.050.010.013306.251.11.4913.542.100100
14984libgromacs_mpi.so.9.0.0 - pme_spread.cpp:639-641.omp_outlined..4#0xc16230Innermost0.030.030.040.040.010.015706.25119.62.6402000
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...Innermost0.030.030.060.060.010.014094.985.01111.063.0231123
714libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:70-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.030.030.020.020.010.01948781.55111.082.2731061
1612libgromacs_mpi.so.9.0.0 - atomdata.cpp:1171-1175 [...].omp_outlined..30Innermost0.030.030.020.020.010.019629.1715.362.8819.522.36110.500.5
14924libgromacs_mpi.so.9.0.0 - lincs.cpp:1133-1137 [...].omp_outlined..37Outermost0.030.100.030.050.010.028416.6710.4222.5710.883.11NANANANANA
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...InBetween0.030.040.030.030.010.0173NANANANANA3.19NANANANANA
17646libgromacs_mpi.so.9.0.0 - fft5d.cpp:783-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.030.390.030.240.010.065709.81118.372.491.75001.50
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...Outermost0.030.080.030.050.010.01679.579.282.841.846.942.99NANANANANA
1737libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4126 [...].omp_outlined..9#0x65dd70InBetween0.031.520.020.370.010.259318.6815.333.771.011.412.42NANANANANA
4234libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.030.030.030.030.010.0173100501122.8801001
1547libgromacs_mpi.so.9.0.0 - partition.cpp:1436-2050 [...].omp_outlined.#0x6c2070InBetween0.030.030.020.020.010.019111.299.522.241.956.22.39NANANANANA
17436libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-560 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.030.350.030.210.000.065842.6328.562.171.031.342.69NANANANANA
1606libgromacs_mpi.so.9.0.0 - atomdata.cpp:1070-1075 [...].omp_outlined..30InBetween0.030.130.030.050.000.028836.6742.291.3911.173.1201.501.50
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*...Outermost0.030.030.040.060.000.014197.3394.41.0311.022.53022.50
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*...Innermost0.030.030.020.020.000.007407.231.3319.412.280110.50
712libgromacs_mpi.so.9.0.0 - impl_x86_avx_512_simd_float.h:70-461 [...]void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)1, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float c...Innermost0.030.030.020.020.000.006988.0182.98111.062.7831061
1745libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.020.030.030.030.000.007407.08117.263.22NANANANANA
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...Innermost0.020.020.030.030.000.00601.967.351.31.187.822.6320031
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...Innermost0.020.020.020.020.000.007506.2511162.6500010
1735libgromacs_mpi.so.9.0.0 - pairlist.cpp:233-4126 [...].omp_outlined..9#0x65dd70InBetween0.020.070.020.030.000.017212.210.981.711.432.192.64NANANANANA
17437libgromacs_mpi.so.9.0.0 - pme_solve.cpp:556-560solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.030.030.000.005610058.3311.31.372.7502000
14251libgromacs_mpi.so.9.0.0 - pme_grid.cpp:537-539.omp_outlined..3#0xc01c30Innermost0.020.020.030.030.000.005206.2511163.1802000
1747libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.020.030.020.030.000.006506.99117.022.68NANANANANA
14996libgromacs_mpi.so.9.0.0 - pme_spread.cpp:700-702.omp_outlined..4#0xc16230Innermost0.020.020.020.020.000.005306.251.171.1711.22.2302000
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>)Single0.020.020.020.020.000.006506.621115.522.8NANANANANA
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...InBetween0.020.040.010.030.000.0162010.21119.972.04NANANANANA
4164libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:207-211 [...].omp_outlined..17InBetween0.020.090.030.080.000.015909.381.5113.713.240.502.750.50
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])Single0.020.020.020.020.000.006306.25119.62.8610200
15303libgromacs_mpi.so.9.0.0 - sim_util.cpp:151-151 [...].omp_outlined..73Single0.020.020.020.020.000.006528.5711.611.331.235.573.7420200
1605libgromacs_mpi.so.9.0.0 - atomdata.cpp:1017-1187 [...].omp_outlined..30InBetween0.020.190.010.060.000.03582513.542.71113.812.12NANANANANA
17444libgromacs_mpi.so.9.0.0 - pme_solve.cpp:523-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.020.020.020.000.0045100501112.7813000
1768libgromacs_mpi.so.9.0.0 - pairlist.cpp:291-293 [...].omp_outlined..9#0x65dd70Innermost0.020.020.020.020.000.006006.251.11.7314.673.0410000
1744libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.020.070.010.040.000.016506.25116.672.5NANANANANA
17642libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.020.020.020.020.000.0045012.51182.8800020
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)Innermost0.020.020.060.060.000.002408.33115.653.4711110
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*)Innermost0.010.010.100.100.000.001106.251.431.436.43.1211120
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)Outermost0.010.540.010.170.000.095123.5524.61.0111.712.150.670.671.672.671
1769libgromacs_mpi.so.9.0.0 - pairlist.cpp:282-286 [...].omp_outlined..9#0x65dd70Innermost0.010.010.010.010.000.005206.251.221.7314.672.2610000
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)Innermost0.010.010.030.030.000.002808.33116.152.8401110
1752libgromacs_mpi.so.9.0.0 - pairlist.cpp:3113-3113 [...].omp_outlined..9#0x65dd70Innermost0.010.010.010.010.000.00595018.75116.861.7401100
14985libgromacs_mpi.so.9.0.0 - pme_spread.cpp:641-641.omp_outlined..4#0xc16230Innermost0.010.010.020.020.000.004210050111.22.0302000
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)Innermost0.010.010.050.050.000.002208.33116.153.6101110
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>)Outermost0.010.010.020.020.000.003907.612.92.615.252.64NANANANANA
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*, ...Outermost0.010.010.020.020.000.003007.51114.42.03NANANANANA
4169libgromacs_mpi.so.9.0.0 - vec.h:141-147.omp_outlined..17Innermost0.010.010.010.010.000.0043100501.041.0822.2202000
4171libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:182-186 [...].omp_outlined..17Innermost0.010.010.020.020.000.004543.3316.612.1317.773.1610.252.502
17649libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.010.010.010.010.000.0036012.51181.8912000
1766libgromacs_mpi.so.9.0.0 - pairlist.cpp:291-293 [...].omp_outlined..9#0x65dd70Innermost0.010.010.020.020.000.003606.251.11.7314.672.1610000
1748libgromacs_mpi.so.9.0.0 - pairlist.cpp:1341-1347 [...].omp_outlined..9#0x65dd70Innermost0.010.010.010.010.000.004106.2511162.4600001
17631libgromacs_mpi.so.9.0.0 - wallcycle.h:391-498 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.011.390.010.720.000.23402.228.691182.4NANANANANA
×