options

Loops Index

271 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 0.57% 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 1x1 (%) Exclusive coverage 2x1 (%) Exclusive coverage 4x1 (%) Exclusive coverage 8x1 (%) Exclusive coverage 16x1 (%) Exclusive coverage 32x1 (%) Exclusive coverage 64x1 (%) Exclusive coverage 128x1 (%) Exclusive coverage 192x1 (%) Inclusive coverage 1x1 (%) Inclusive coverage 2x1 (%) Inclusive coverage 4x1 (%) Inclusive coverage 8x1 (%) Inclusive coverage 16x1 (%) Inclusive coverage 32x1 (%) Inclusive coverage 64x1 (%) Inclusive coverage 128x1 (%) Inclusive coverage 192x1 (%) Max Exclusive Time Over Threads 1x1 (s) Max Exclusive Time Over Threads 2x1 (s) Max Exclusive Time Over Threads 4x1 (s) Max Exclusive Time Over Threads 8x1 (s) Max Exclusive Time Over Threads 16x1 (s) Max Exclusive Time Over Threads 32x1 (s) Max Exclusive Time Over Threads 64x1 (s) Max Exclusive Time Over Threads 128x1 (s) Max Exclusive Time Over Threads 192x1 (s) Max Inclusive Time Over Threads 1x1 (s) Max Inclusive Time Over Threads 2x1 (s) Max Inclusive Time Over Threads 4x1 (s) Max Inclusive Time Over Threads 8x1 (s) Max Inclusive Time Over Threads 16x1 (s) Max Inclusive Time Over Threads 32x1 (s) Max Inclusive Time Over Threads 64x1 (s) Max Inclusive Time Over Threads 128x1 (s) Max Inclusive Time Over Threads 192x1 (s) Exclusive Time w.r.t. Wall Time 1x1 (s) Exclusive Time w.r.t. Wall Time 2x1 (s) Exclusive Time w.r.t. Wall Time 4x1 (s) Exclusive Time w.r.t. Wall Time 8x1 (s) Exclusive Time w.r.t. Wall Time 16x1 (s) Exclusive Time w.r.t. Wall Time 32x1 (s) Exclusive Time w.r.t. Wall Time 64x1 (s) Exclusive Time w.r.t. Wall Time 128x1 (s) Exclusive Time w.r.t. Wall Time 192x1 (s) Inclusive Time w.r.t. Wall Time 1x1 (s) Inclusive Time w.r.t. Wall Time 2x1 (s) Inclusive Time w.r.t. Wall Time 4x1 (s) Inclusive Time w.r.t. Wall Time 8x1 (s) Inclusive Time w.r.t. Wall Time 16x1 (s) Inclusive Time w.r.t. Wall Time 32x1 (s) Inclusive Time w.r.t. Wall Time 64x1 (s) Inclusive Time w.r.t. Wall Time 128x1 (s) Inclusive Time w.r.t. Wall Time 192x1 (s) Nb Threads 1x1 Nb Threads 2x1 Nb Threads 4x1 Nb Threads 8x1 Nb Threads 16x1 Nb Threads 32x1 Nb Threads 64x1 Nb Threads 128x1 Nb Threads 192x1 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing 1x1 Speedup If Perfect Load Balancing 2x1 Speedup If Perfect Load Balancing 4x1 Speedup If Perfect Load Balancing 8x1 Speedup If Perfect Load Balancing 16x1 Speedup If Perfect Load Balancing 32x1 Speedup If Perfect Load Balancing 64x1 Speedup If Perfect Load Balancing 128x1 Speedup If Perfect Load Balancing 192x1 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect (1x1) Efficiency (1x1) Potential Speed-Up (%) (2x1) Efficiency (2x1) Potential Speed-Up (%) (4x1) Efficiency (4x1) Potential Speed-Up (%) (8x1) Efficiency (8x1) Potential Speed-Up (%) (16x1) Efficiency (16x1) Potential Speed-Up (%) (32x1) Efficiency (32x1) Potential Speed-Up (%) (64x1) Efficiency (64x1) Potential Speed-Up (%) (128x1) Efficiency (128x1) Potential Speed-Up (%) (192x1) Efficiency (192x1) Potential Speed-Up (%)
Loop idSource LocationSource FunctionLevelExclusive coverage 1x1 (%)Exclusive coverage 2x1 (%)Exclusive coverage 4x1 (%)Exclusive coverage 8x1 (%)Exclusive coverage 16x1 (%)Exclusive coverage 32x1 (%)Exclusive coverage 64x1 (%)Exclusive coverage 128x1 (%)Exclusive coverage 192x1 (%)Inclusive coverage 1x1 (%)Inclusive coverage 2x1 (%)Inclusive coverage 4x1 (%)Inclusive coverage 8x1 (%)Inclusive coverage 16x1 (%)Inclusive coverage 32x1 (%)Inclusive coverage 64x1 (%)Inclusive coverage 128x1 (%)Inclusive coverage 192x1 (%)Max Exclusive Time Over Threads 1x1 (s)Max Exclusive Time Over Threads 2x1 (s)Max Exclusive Time Over Threads 4x1 (s)Max Exclusive Time Over Threads 8x1 (s)Max Exclusive Time Over Threads 16x1 (s)Max Exclusive Time Over Threads 32x1 (s)Max Exclusive Time Over Threads 64x1 (s)Max Exclusive Time Over Threads 128x1 (s)Max Exclusive Time Over Threads 192x1 (s)Max Inclusive Time Over Threads 1x1 (s)Max Inclusive Time Over Threads 2x1 (s)Max Inclusive Time Over Threads 4x1 (s)Max Inclusive Time Over Threads 8x1 (s)Max Inclusive Time Over Threads 16x1 (s)Max Inclusive Time Over Threads 32x1 (s)Max Inclusive Time Over Threads 64x1 (s)Max Inclusive Time Over Threads 128x1 (s)Max Inclusive Time Over Threads 192x1 (s)Exclusive Time w.r.t. Wall Time 1x1 (s)Exclusive Time w.r.t. Wall Time 2x1 (s)Exclusive Time w.r.t. Wall Time 4x1 (s)Exclusive Time w.r.t. Wall Time 8x1 (s)Exclusive Time w.r.t. Wall Time 16x1 (s)Exclusive Time w.r.t. Wall Time 32x1 (s)Exclusive Time w.r.t. Wall Time 64x1 (s)Exclusive Time w.r.t. Wall Time 128x1 (s)Exclusive Time w.r.t. Wall Time 192x1 (s)Inclusive Time w.r.t. Wall Time 1x1 (s)Inclusive Time w.r.t. Wall Time 2x1 (s)Inclusive Time w.r.t. Wall Time 4x1 (s)Inclusive Time w.r.t. Wall Time 8x1 (s)Inclusive Time w.r.t. Wall Time 16x1 (s)Inclusive Time w.r.t. Wall Time 32x1 (s)Inclusive Time w.r.t. Wall Time 64x1 (s)Inclusive Time w.r.t. Wall Time 128x1 (s)Inclusive Time w.r.t. Wall Time 192x1 (s)Nb Threads 1x1Nb Threads 2x1Nb Threads 4x1Nb Threads 8x1Nb Threads 16x1Nb Threads 32x1Nb Threads 64x1Nb Threads 128x1Nb Threads 192x1Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing 1x1Speedup If Perfect Load Balancing 2x1Speedup If Perfect Load Balancing 4x1Speedup If Perfect Load Balancing 8x1Speedup If Perfect Load Balancing 16x1Speedup If Perfect Load Balancing 32x1Speedup If Perfect Load Balancing 64x1Speedup If Perfect Load Balancing 128x1Speedup If Perfect Load Balancing 192x1Stride 0Stride 1Stride nStride UnknownStride Indirect(1x1) Efficiency(1x1) Potential Speed-Up (%)(2x1) Efficiency(2x1) Potential Speed-Up (%)(4x1) Efficiency(4x1) Potential Speed-Up (%)(8x1) Efficiency(8x1) Potential Speed-Up (%)(16x1) Efficiency(16x1) Potential Speed-Up (%)(32x1) Efficiency(32x1) Potential Speed-Up (%)(64x1) Efficiency(64x1) Potential Speed-Up (%)(128x1) Efficiency(128x1) Potential Speed-Up (%)(192x1) Efficiency(192x1) Potential Speed-Up (%)
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...Innermost36.3835.1134.8033.4829.5024.2120.1316.3614.2336.3835.1134.8033.4829.5024.2120.1316.3614.23303.26171.57110.4867.6335.5829.0518.066.994.50303.26171.57110.4867.6335.5829.0518.066.994.50303.26159.1686.6851.7924.4012.448.002.781.92303.26159.1686.6851.7924.4012.448.002.781.9212481620408412889.1282.65111.0611.081.281.311.471.461.421.681.5820124100.951.660.874.360.738.970.786.580.765.770.598.210.852.420.822.51
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...Innermost14.4513.8714.2514.3310.378.366.555.905.3214.4513.8714.2514.3310.378.366.555.905.32120.4672.4348.0831.8814.9714.618.784.822.99120.4672.4348.0831.8814.9714.618.784.822.99120.4662.8635.5022.178.584.302.601.000.72120.4662.8635.5022.178.584.302.601.000.7212481620408412888.3482.68111.0711.151.361.441.752.132.113.22.8120124100.960.580.852.160.684.60.881.270.881.040.721.820.940.370.880.66
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...Innermost6.516.246.155.895.334.403.632.962.566.516.246.155.895.334.403.632.962.5654.2930.6319.6411.976.465.153.321.340.9054.2930.6319.6411.976.465.153.321.340.9054.2928.2915.339.114.412.261.440.500.3454.2928.2915.339.114.412.261.440.500.3412481620408412887.8284.2111.0711.081.281.311.471.421.441.761.7720151100.960.250.890.70.741.50.771.220.751.10.591.50.840.470.820.46
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)Innermost0.030.060.110.180.350.430.581.371.750.030.060.110.180.350.430.581.371.750.260.300.340.320.380.330.360.340.360.260.300.340.320.380.330.360.340.360.270.270.270.270.290.220.230.230.240.270.270.270.270.290.220.230.230.2412481632641281928.338.651.11.717.4711.121.261.191.331.51.581.51.54NANANANANA100.490.030.250.080.120.160.060.330.040.410.020.570.011.360.011.74
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)Outermost4.564.273.763.122.882.311.441.751.504.564.273.763.122.882.311.441.751.5038.0219.8210.115.182.643.711.821.170.8638.0219.8210.115.182.643.711.821.170.8638.0219.359.364.832.381.190.570.300.2038.0219.359.364.832.381.190.570.300.201248161224446465.7137.541.421.071.3411.021.081.071.111.171.191.371.43NANANANANA100.980.071.0200.980.0510.011-01.040100.980.03
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...Innermost2.612.542.572.551.881.481.191.080.952.612.542.572.551.881.481.191.080.9521.7613.408.615.672.722.581.580.850.5821.7613.408.615.672.722.581.580.850.5821.7611.506.413.941.550.760.470.180.1321.7611.506.413.941.550.760.470.180.1312481620408312788.6785.3111.0411.171.351.441.762.122.13.073.0520133100.950.140.850.390.690.790.880.230.890.160.720.330.930.080.880.11
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...Outermost0.860.901.001.051.030.850.810.890.9455.8553.8153.8152.0943.9735.9329.3724.9022.087.194.112.681.841.010.900.630.330.27465.58246.66138.4082.4638.5931.3819.547.644.957.194.062.481.620.860.440.320.150.13465.58243.95134.0480.5936.3718.4711.674.232.9712481620408412868.6741.671.271.031.3911.011.081.141.181.291.221.451.43NANANANANA100.880.10.720.270.560.460.530.490.520.410.350.530.370.560.290.66
17547libgromacs_mpi.so.9.0.0 - pme_spread.cpp:358-400 [...].omp_outlined..2InBetween2.482.252.081.661.591.140.760.930.792.482.252.081.661.591.140.760.930.7920.7010.415.352.751.621.820.960.650.4520.7010.415.352.751.621.820.960.650.4520.7010.205.182.571.320.580.300.160.1120.7010.205.182.571.320.580.300.160.111248161224446480.1721.691.461.293.3711.021.031.071.241.171.21.431.43NANANANANA101.010101.0100.980.031.1101.0701.0201.020
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...Innermost1.691.581.461.231.180.960.730.710.621.691.581.461.231.180.960.730.710.6214.087.724.502.571.411.120.650.330.2314.087.724.502.571.411.120.650.330.2314.087.163.631.900.980.490.290.120.0814.087.163.631.900.980.490.290.120.081248162040841288781.1111.0811.081.241.351.451.421.411.811.931061100.980.030.970.040.930.090.90.120.890.10.760.170.910.070.880.07
17554libgromacs_mpi.so.9.0.0 - pme_spread.cpp:277-975 [...].omp_outlined..2InBetween1.551.461.452.161.060.770.500.610.531.551.461.452.161.060.770.500.610.5312.956.764.113.561.131.190.690.410.2912.956.764.113.561.131.190.690.410.2912.956.603.623.340.880.400.200.100.0712.956.603.623.340.880.400.200.100.07124816122444648.668.0212.416.9811.021.141.071.291.121.311.381.39NANANANANA100.980.030.90.150.481.110.920.081.0201.0100.980.010.940.03
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...Innermost1.341.231.241.180.910.710.510.530.491.341.231.241.180.910.710.510.530.4911.176.514.152.631.261.260.840.490.3111.176.514.152.631.261.260.840.490.3111.175.593.091.820.750.370.200.090.0711.175.593.091.820.750.370.200.090.0712481620407812387.8782.37111.0711.161.341.451.682.152.563.363.033106110100.90.120.770.270.930.070.950.030.850.070.970.020.880.06
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...Innermost1.021.020.980.770.890.770.590.450.431.021.020.980.770.890.770.590.450.438.494.753.571.843.263.802.341.030.538.494.753.571.843.263.802.341.030.538.494.612.431.190.740.390.230.080.068.494.612.431.190.740.390.230.080.0612488816285796.8186.37111.0911.031.471.552.222.412.512.972.7620123100.920.080.870.120.890.080.720.250.670.250.570.250.860.060.770.1
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)Innermost1.081.051.031.050.820.710.550.480.421.081.051.031.050.820.710.550.480.429.014.862.621.700.830.670.420.170.169.014.862.621.700.830.670.420.170.169.014.742.571.620.670.370.220.080.069.014.742.571.620.670.370.220.080.0612481620408412895.4589.21.051111.031.021.051.241.151.231.431.911020100.950.050.880.130.690.320.830.130.770.160.650.190.860.070.830.07
17641libgromacs_mpi.so.9.0.0 - fft5d.cpp:853-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost1.391.330.870.740.570.500.261.770.381.391.330.870.740.570.500.261.770.3811.556.042.271.230.540.840.361.210.2211.556.042.271.230.540.840.361.210.2211.556.032.171.150.470.260.100.300.0511.556.032.171.150.470.260.100.300.0512481612244464012.5118111.051.071.161.221.31.41.4310050100.960.051.3301.2601.5201.401.7400.31.241.160
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*,...Outermost0.940.870.770.630.560.470.290.370.321.071.000.890.730.650.540.330.430.387.844.712.831.580.930.970.420.380.248.915.423.261.861.131.140.450.450.287.843.931.910.970.460.240.110.060.048.914.522.221.130.540.280.130.070.0512481620377110496.893.681.0311.0311.21.481.622.032.552.143.3633022010101.0301.01-01.0601.0201.0800.960.010.930.02
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>)Innermost1.030.760.700.650.510.370.270.330.321.030.760.700.650.510.370.270.330.328.613.672.361.400.740.620.450.240.228.613.672.361.400.740.620.450.240.228.613.441.731.000.420.190.110.060.048.613.441.731.000.420.190.110.060.0412481620397411306.2513.371611.071.361.41.772.062.592.583.1102001101.2501.2401.0801.2801.4301.2701.2101.040
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...Single1.120.970.890.730.590.430.270.350.311.120.970.890.730.590.430.270.350.319.304.663.151.540.740.500.340.190.159.304.663.151.540.740.500.340.190.159.304.402.211.120.490.220.110.060.049.304.402.211.120.490.220.110.060.0412481620408412899.8195.961.011111.061.421.371.521.441.952.122.46103136101.0601.0501.0401.1901.3301.3301.2201.140
17648libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.000.360.380.320.240.210.140.340.300.000.360.380.320.240.210.140.340.301.731.080.550.250.330.210.220.171.731.080.550.250.330.210.220.171.640.960.500.200.110.050.060.041.640.960.500.200.110.050.060.042481612244464012.511801.051.131.121.271.191.491.361.4120001010101010101010
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>)InBetween0.790.600.590.540.450.340.250.310.281.831.361.291.190.960.710.520.640.606.612.901.791.110.730.640.380.280.1615.236.584.152.511.401.260.810.480.346.612.741.470.840.370.180.100.050.0415.236.183.211.840.790.360.210.110.081248162037731159.0910.2323.0814.4511.061.211.321.982.282.23.062.6NANANANANA101.2101.1200.980.011.1101.1801.0300.970.010.90.03
1751libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4104 [...].omp_outlined..9#0x65dd70InBetween0.410.540.580.660.620.540.520.270.281.621.731.791.771.611.301.080.810.793.402.471.521.090.630.580.490.120.1013.477.934.742.861.511.260.940.260.203.402.431.441.020.510.280.210.050.0413.477.844.452.731.330.670.430.140.111248162040841288.3310.163.312.496.511.021.061.071.231.311.511.781.67NANANANANA100.70.160.590.240.420.380.410.360.380.330.260.390.570.120.460.15
17647libgromacs_mpi.so.9.0.0 - fft5d.cpp:787-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.000.320.380.300.230.190.120.320.260.000.320.380.300.230.190.120.320.261.491.020.510.230.320.180.230.151.491.020.510.230.320.180.230.151.460.940.470.190.100.050.050.041.460.940.470.190.100.050.050.042481612244464012.511801.021.081.091.191.221.421.531.48120001010101010101010
14926libgromacs_mpi.so.9.0.0 - lincs.cpp:845-857 [...].omp_outlined..37Single0.520.490.500.490.380.290.210.280.260.520.490.500.490.380.290.210.280.264.292.481.560.920.650.500.310.220.154.292.481.560.920.650.500.310.220.154.292.241.240.750.310.150.080.050.044.292.241.240.750.310.150.080.050.0412481620387510877.4666.731.0211.211.111.261.222.072.132.232.732.42154011100.960.020.870.060.710.140.860.050.910.030.80.040.720.080.630.1
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*...Outermost1.060.850.760.670.540.400.240.310.261.130.910.820.720.590.430.260.340.298.824.372.271.280.850.640.320.260.189.384.672.511.390.890.680.360.290.198.823.871.891.040.450.200.100.050.039.384.142.041.110.490.220.100.060.0412481619367110288.9957.261.011.061.2911.131.21.231.91.861.912.772.72030.56101.1401.1701.0601.2301.3501.4301.301.320
1603libgromacs_mpi.so.9.0.0 - atomdata.cpp:1137-1143 [...].omp_outlined..28Innermost0.200.200.250.290.280.200.170.220.250.200.200.250.290.280.200.170.220.251.680.990.690.490.290.200.150.090.101.680.990.690.490.290.200.150.090.101.680.930.610.450.230.100.070.040.031.680.930.610.450.230.100.070.040.0312481620408412806.2511.088.4211.071.121.11.271.211.411.671.9702001100.910.020.690.080.470.150.450.160.510.10.390.10.350.150.260.19
1323libgromacs_mpi.so.9.0.0 - atomdata.cpp:226-233copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.190.240.290.510.310.210.180.250.250.190.240.290.510.310.210.180.250.251.591.090.790.880.310.250.160.110.101.591.090.790.880.310.250.160.110.101.591.070.720.780.250.110.070.040.031.591.070.720.780.250.110.070.040.0312481620408412806.251.32111.3811.021.11.121.251.441.421.632.0201211100.750.060.560.130.250.380.390.190.460.110.340.120.290.180.250.19
2993libgromacs_mpi.so.9.0.0 - domdec.cpp:415-419 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)Innermost0.000.050.100.330.200.130.140.210.230.000.050.100.330.200.130.140.210.230.270.280.700.250.160.140.100.100.270.280.700.250.160.140.100.100.230.240.500.170.070.060.040.030.230.240.500.170.070.060.040.032481620408412806.251.31.36.7101.211.131.41.521.451.571.972.22120101010101010101010
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])Single0.500.470.480.400.350.250.180.240.220.500.470.480.400.350.250.180.240.224.172.421.410.720.560.480.260.220.144.172.421.410.720.560.480.260.220.144.172.151.200.620.290.130.070.040.034.172.151.200.620.290.130.070.040.0312481620377411227.7811.1111.11511.131.181.161.972.32.133.272.7502121100.970.010.870.060.840.060.910.03100.920.010.810.050.730.06
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>)Innermost0.000.220.260.250.290.190.140.260.200.000.220.260.250.290.190.140.260.201.280.730.530.320.390.250.200.111.280.730.530.320.390.250.200.111.020.640.380.240.100.050.040.031.020.640.380.240.100.050.040.03248161224446406.911.3316.8901.271.131.381.341.531.731.641.38240.510.51010101010101010
1757libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:130-174 [...].omp_outlined..9#0x65dd70Innermost0.480.460.440.380.360.290.220.210.180.480.460.440.380.360.290.220.210.183.962.141.300.690.340.290.200.100.073.962.141.300.690.340.290.200.100.073.962.091.090.580.300.150.090.030.023.962.091.090.580.300.150.090.030.0212481620408412877.2443.841.061.181.4911.031.21.191.161.21.451.911.962001.50100.950.020.910.040.850.060.830.060.830.050.710.060.890.020.860.03
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...Outermost0.560.510.450.370.320.270.170.210.170.760.700.660.580.460.340.210.270.234.652.691.580.890.520.530.250.200.136.303.682.221.260.660.680.300.240.164.652.311.130.570.260.140.070.040.026.303.171.640.890.380.180.080.050.0312481620387010284.3345.451.021.091.6611.171.41.561.972.452.23.072.972.50213101.01-01.0301.0201.1101.0701.101.01-01.030
1394libgromacs_mpi.so.9.0.0 - pme_spread.cpp:104-133 [...].omp_outlined.#0xc138b0Innermost0.470.450.410.470.330.250.160.190.170.470.450.410.470.330.250.160.190.173.922.031.070.850.330.410.240.140.113.922.031.070.850.330.410.240.140.113.932.031.020.720.270.130.060.030.023.932.031.020.720.270.130.060.030.021248161224446418.189.6611.626.24111.051.181.241.191.461.531.613005100.970.010.960.020.680.150.910.030.950.010.9900.960.010.880.02
17636libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.580.530.500.340.260.220.130.170.160.580.530.500.340.260.220.130.170.164.792.411.340.630.300.350.190.120.114.792.411.340.630.300.350.190.120.114.792.391.240.530.220.110.050.030.024.792.391.240.530.220.110.050.030.0212481612244464012.511811.011.081.21.421.181.391.521.720010101.01-00.970.021.1301.3901.3301.4201.301.140
17419libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:455-468 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Single0.000.000.000.000.000.170.120.210.160.000.000.000.000.000.170.120.210.160.370.260.150.110.370.260.150.110.090.050.040.020.090.050.040.021224446406.641.4416.69000001.62.021.441.631201.5110101010
17640libgromacs_mpi.so.9.0.0 - fft5d.cpp:849-855fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.090.080.070.060.070.060.040.640.151.491.420.960.810.670.570.312.710.550.740.380.200.110.090.110.071.310.1112.416.482.501.340.630.990.421.630.290.740.350.180.100.060.030.010.110.0212.416.452.391.260.550.300.120.460.071248161224446409.6115.2311.081.131.141.491.41.994.221.71NANANANANA101.06-01.01-00.9500.80.010.780.010.810.010.050.610.180.13
14921libgromacs_mpi.so.9.0.0 - lincs.cpp:966-992 [...].omp_outlined..37Innermost0.240.220.200.220.180.150.120.150.150.240.220.200.220.180.150.120.150.152.021.120.610.460.290.280.160.140.112.021.120.610.460.290.280.160.140.112.020.990.500.340.150.080.050.020.022.020.990.500.340.150.080.050.020.0212481620367211068.5758.391.0211.3511.141.221.351.972.212.033.213.2514409101.0301.01-00.740.060.860.030.80.030.690.040.630.050.540.07
1764libgromacs_mpi.so.9.0.0 - pairlist.cpp:3503-3505 [...].omp_outlined..9#0x65dd70Innermost0.100.140.190.310.340.260.220.150.140.100.140.190.310.340.260.220.150.140.840.650.560.530.370.290.200.080.070.840.650.560.530.370.290.200.080.070.840.610.480.470.280.130.090.030.020.840.610.480.470.280.130.090.030.0212481620408412806.251.11.4913.5411.071.161.111.351.371.452.132.4200100100.690.040.440.110.220.240.190.270.20.210.150.180.260.110.220.11
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...Outermost0.120.120.130.150.130.110.110.110.139.889.519.459.147.826.395.214.433.890.990.620.350.260.160.120.120.070.0682.3243.6224.2414.516.915.573.511.410.970.990.570.330.230.110.060.040.020.0282.3243.1123.5414.146.473.292.070.750.5212481620408412859.4337.821.271.081.5511.11.071.111.491.351.782.42.13NANANANANA100.870.020.740.030.540.070.550.060.530.050.360.070.40.070.30.09
17635libgromacs_mpi.so.9.0.0 - fft5d.cpp:916-918fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.470.420.380.300.250.210.130.140.130.470.420.380.300.250.210.130.140.133.911.931.020.540.280.320.190.110.083.911.931.020.540.280.320.190.110.083.911.900.960.460.210.110.050.020.023.911.900.960.460.210.110.050.020.0212481612244464012.511811.021.071.181.391.141.381.61.4911010101.0301.0201.0701.1801.1601.1501.2801.20
1402libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:96-103.omp_outlined.#0xc0af60Innermost0.000.270.250.210.200.180.100.130.120.000.270.250.210.200.180.100.130.121.280.830.360.230.400.200.100.091.280.830.360.230.400.200.100.091.240.620.320.170.090.040.020.021.240.620.320.170.090.040.020.02248161224446406.2531801.031.341.131.41.651.981.661.96021001010101010101010
1403libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:111-118.omp_outlined.#0xc0af60Innermost0.000.000.000.000.000.000.000.130.120.000.000.000.000.000.000.000.130.120.120.100.120.100.020.020.020.02446406.2541800000001.922.13012001010
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...Innermost0.260.240.240.210.200.160.110.110.100.260.240.240.210.200.160.110.110.102.171.150.770.450.210.210.140.070.062.171.150.770.450.210.210.140.070.062.171.090.600.320.160.080.050.020.012.171.090.600.320.160.080.050.020.0112481620408211887.6783.96111.0611.061.291.411.331.581.922.192.883107010100.910.020.840.030.840.030.820.030.740.030.880.010.880.01
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*)Innermost0.000.020.050.150.080.060.060.090.090.000.020.050.150.080.060.060.090.090.220.210.360.120.090.070.050.050.220.210.360.120.090.070.050.050.110.130.240.070.030.020.010.010.110.130.240.070.030.020.010.011371519398112308.33116.15011.261.331.721.872.12.442.8011101010101010101010
1756libgromacs_mpi.so.9.0.0 - pairlist_simd_2xmm.h:185-229 [...].omp_outlined..9#0x65dd70Innermost0.210.200.190.140.170.120.050.110.090.210.200.190.140.170.120.050.110.091.770.960.490.250.210.130.060.060.041.770.960.490.250.210.130.060.060.041.770.900.480.220.140.060.020.020.011.770.900.480.220.140.060.020.020.0112481620398412375.7335.481.151.341.7911.071.041.161.461.321.872.232.421.6700.3310100.9800.930.011-00.780.040.90.011.300.770.020.770.02
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...Innermost0.200.220.210.210.150.110.090.100.090.200.220.210.210.150.110.090.100.091.701.080.760.520.240.230.140.130.081.701.080.760.520.240.230.140.130.081.700.980.530.330.120.050.030.020.011.700.980.530.330.120.050.030.020.011248162035629487.9684.76111.0411.091.441.581.962.672.293.953.3931151100.870.030.810.040.640.080.860.020.9800.760.020.820.020.760.02
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...Single0.410.360.320.250.260.210.130.080.070.410.360.320.250.260.210.130.080.073.441.971.190.590.440.410.200.080.083.441.971.190.590.440.410.200.080.083.441.620.800.390.220.110.050.010.013.441.620.800.390.220.110.050.010.011248161936598917.219.671.651.296.7511.221.51.522.022.272.192.873.78NANANANANA101.0601.0801.1100.9801-01.0401.9401.810
17446libgromacs_mpi.so.9.0.0 - pme_solve.cpp:498-510solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.210.180.160.130.110.100.060.080.070.210.180.160.130.110.100.060.080.071.730.850.430.230.130.180.090.080.061.730.850.430.230.130.180.090.080.061.730.820.400.200.090.050.030.010.011.730.820.400.200.090.050.030.010.01124816122444643.857.9313.067.2611.041.091.171.51.351.392.092.106000101.0501.0901.0701.2401.0801.05-01.01-00.940
1428libgromacs_mpi.so.9.0.0 - mdatoms.cpp:268-438 [...].omp_outlined.#0xb09d40Outermost0.030.030.040.050.060.040.040.070.070.030.030.040.050.060.050.040.070.070.240.140.120.090.080.060.050.040.030.250.140.120.090.080.060.050.040.030.240.120.110.070.050.020.020.010.010.250.130.110.080.050.020.020.010.011248162039821248.228.631.711.895.9711.171.161.281.881.782.052.612.42NANANANANA10100.560.020.40.030.330.040.330.030.230.030.170.050.130.06
14925libgromacs_mpi.so.9.0.0 - lincs.cpp:1135-1137 [...].omp_outlined..37Innermost0.170.180.200.170.120.090.070.070.070.170.180.200.170.120.090.070.070.071.440.870.670.420.200.150.100.080.061.440.870.670.420.200.150.100.080.061.440.830.500.260.100.050.030.010.011.440.830.500.260.100.050.030.010.011248161837609522.2210.4211.125.3311.041.341.592.041.822.283.193.4613010100.870.020.720.060.680.050.920.010.9700.840.010.9500.80.01
17440libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-233 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.210.190.170.130.130.100.070.090.070.210.190.170.130.130.100.070.090.071.750.910.470.240.150.190.120.090.061.750.910.470.240.150.190.120.090.061.750.870.440.200.100.050.030.010.011.750.870.440.200.100.050.030.010.01124816122444649696.25111.0711.051.091.241.441.361.581.992.3413000101.01-01.01-01.1101.0501.02-00.9600.920.010.970
17443libgromacs_mpi.so.9.0.0 - pme_solve.cpp:521-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.170.160.130.100.110.090.060.070.060.170.160.130.100.110.090.060.070.061.390.790.370.200.120.160.110.050.061.390.790.370.200.120.160.110.050.061.390.730.330.160.090.040.020.010.011.390.730.330.160.090.040.020.010.01124816122444646.677.515.5811.081.131.251.321.41.811.652.3603000100.950.011.0401.0800.950.010.9800.9500.9300.850.01
1763libgromacs_mpi.so.9.0.0 - pairlist.cpp:3518-3520 [...].omp_outlined..9#0x65dd70Innermost0.330.330.320.220.070.040.030.040.060.330.330.320.220.070.040.030.040.062.771.500.850.370.240.160.130.050.052.771.500.850.370.240.160.130.050.052.771.480.790.340.060.020.010.010.012.771.480.790.340.060.020.010.010.0112489911499606.251.11.4913.5411.011.081.12.222.021.572.723.0300100100.940.020.880.041.02-02.8303.7703.1603.0401.730
17441libgromacs_mpi.so.9.0.0 - pme_solve.cpp:533-542solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.170.180.140.120.110.090.060.070.060.170.180.140.120.110.090.060.070.061.390.810.380.250.140.150.090.060.051.390.810.380.250.140.150.090.060.051.390.800.350.180.090.050.020.010.011.390.800.350.180.090.050.020.010.01124816122444646.677.515.44811.021.091.381.671.241.622.042.0603000100.870.020.9900.960100.930.010.9900.9800.890.01
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...Innermost0.160.140.130.120.130.120.080.070.060.160.140.130.120.130.120.080.070.061.290.660.450.330.490.610.360.170.091.290.660.450.330.490.610.360.170.091.290.630.330.190.100.060.030.010.011.290.630.330.190.100.060.030.010.0112488816203696.0388.34111.0611.061.361.722.372.442.782.372.1220132101.04-00.9900.860.020.770.030.650.040.620.030.920.010.840.01
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*,...Innermost0.130.130.130.100.090.080.040.050.060.130.130.130.100.090.080.040.050.061.070.720.430.280.200.160.070.060.071.070.720.430.280.200.160.070.060.071.070.580.310.160.080.040.020.010.011.070.580.310.160.080.040.020.010.011248161834558513.139.322.0819.8211.231.41.732.712.42.143.193.670010.51100.920.010.860.020.830.020.880.010.870.010.9600.9400.70.02
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...Outermost0.000.050.050.050.040.030.030.050.060.000.080.090.090.090.090.080.110.120.260.160.120.070.080.050.060.040.430.280.220.150.150.140.110.080.210.120.080.040.020.010.010.010.370.220.150.070.040.030.020.0224815193366909.579.282.841.846.9401.221.321.61.912.522.143.682.83NANANANANA1010101010101010
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...Single0.150.140.130.090.090.060.050.060.060.150.140.130.090.090.060.050.060.061.210.700.430.200.160.110.070.080.041.210.700.430.200.160.110.070.080.041.210.620.310.150.080.030.020.010.011.210.620.310.150.080.030.020.010.011248151835508421.899.761.311.586.1311.131.381.41.991.861.882.942.372005.670.67100.9800.9701.03-0101.1300.9300.880.010.850.01
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*)Single0.000.000.000.000.000.080.050.070.050.000.000.000.000.000.080.050.070.050.130.060.050.040.130.060.050.040.040.020.010.010.040.020.010.0120408010928.5711.611.121.335.33000001.91.732.883.612020010101010
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...Innermost0.200.190.200.210.140.080.040.050.050.200.190.200.210.140.080.040.050.051.650.990.640.450.200.150.060.060.041.650.990.640.450.200.150.060.060.041.650.870.510.320.110.040.020.010.011.650.870.510.320.110.040.020.010.011248161934609507.921.221.167.3311.141.261.391.762.292.263.083.260.50111.5100.950.010.810.040.640.070.90.011.2801.6801.3901.250
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...InBetween0.000.000.000.000.000.040.030.050.050.000.000.000.000.000.050.040.060.060.070.070.050.050.090.100.050.050.020.010.010.010.020.020.010.0119346182NANANANANA000002.143.052.963.31NANANANANA10101010
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...Innermost0.110.110.090.070.080.070.040.050.040.110.110.090.070.080.070.040.050.040.920.570.410.180.380.470.200.140.070.920.570.410.180.380.470.200.140.070.920.500.230.110.070.040.020.010.010.920.500.230.110.070.040.020.010.0112488816183694.985.01111.0611.151.751.672.743.22.952.382.2131123100.910.010.9801.06-00.820.020.780.020.820.010.850.010.790.01
15002libgromacs_mpi.so.9.0.0 - md_support.cpp:181-209 [...].omp_outlined..4Innermost0.110.080.090.070.070.050.040.050.040.110.080.090.070.070.050.040.050.040.890.410.280.130.110.070.110.040.030.890.410.280.130.110.070.110.040.030.890.350.240.110.060.030.020.010.010.890.350.240.110.060.030.020.010.0112481620407210338.4621.631.061.292.211.161.171.191.961.594.292.542.8112110101.2700.9500.9800.9901.02-00.870.010.780.010.810.01
17303libgromacs_mpi.so.9.0.0 - pme_grid.cpp:303-309 [...]copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)Innermost0.190.270.310.490.280.070.050.050.040.190.270.310.490.280.070.050.050.041.591.250.900.990.260.140.080.030.041.591.250.900.990.260.140.080.030.041.591.210.770.760.230.040.020.010.011.591.210.770.760.230.040.020.010.011248161224446110050111.3311.041.181.291.151.441.561.52.2702000100.660.090.520.150.260.360.430.161.3201.2901.5201.460
17308libgromacs_mpi.so.9.0.0 - pme_grid.cpp:402-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.130.130.110.090.130.070.040.050.040.130.130.110.090.130.070.040.050.041.110.590.310.170.180.140.080.040.041.110.590.310.170.180.140.080.040.041.110.590.260.150.110.040.020.010.011.110.590.260.150.110.040.020.010.011248161224446110050111.3311.011.181.161.71.531.791.692.6902000100.940.011.0600.940.010.640.050.9801.03-00.9401.08-0
15389libgromacs_mpi.so.9.0.0 - update.cpp:1703-1706 [...].omp_outlined..65Single0.110.100.100.080.090.060.040.040.040.110.100.100.080.090.060.040.040.040.950.470.280.160.120.080.050.030.030.950.470.280.160.120.080.050.030.030.950.450.250.120.070.030.020.010.010.950.450.250.120.070.030.020.010.011248162040729808.33115.6511.061.11.361.681.592.192.432.9320200101.0600.950.010.9800.830.020.9400.9401.05-00.940
1737libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4126 [...].omp_outlined..9#0x65dd70InBetween0.030.040.040.040.040.040.030.030.041.892.072.112.101.961.581.331.071.050.270.190.130.070.050.050.040.030.0215.779.425.553.421.851.571.130.320.250.270.200.090.050.030.020.010.010.0015.779.385.253.251.620.810.530.180.1412481620406710518.6815.333.771.011.41111.391.291.621.712.012.962.76NANANANANA100.680.010.740.010.610.010.530.020.410.020.330.020.380.020.280.03
14924libgromacs_mpi.so.9.0.0 - lincs.cpp:1133-1137 [...].omp_outlined..37Outermost0.130.130.130.120.080.060.040.040.040.300.310.330.290.200.150.100.110.111.070.660.380.310.160.120.060.050.032.521.521.030.670.350.270.160.090.091.070.600.320.190.070.030.010.010.002.521.430.820.450.170.080.040.020.011248161933597916.6710.4222.5710.8811.11.181.672.282.492.383.892.56NANANANANA100.90.010.830.020.720.030.9801.1701.1901.2701.150
17436libgromacs_mpi.so.9.0.0 - pme_solve.cpp:233-560 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.100.090.080.070.060.050.030.040.031.020.970.870.670.620.510.330.420.360.820.400.250.130.070.090.070.050.048.544.432.221.250.660.780.430.270.190.820.390.200.100.050.030.010.010.008.544.392.151.030.510.260.130.070.051248161224446342.6328.562.171.031.3411.031.261.231.371.342.132.112.9NANANANANA101.05-01.01-01.01-01-01.02-01.03-00.860.010.930
1750libgromacs_mpi.so.9.0.0 - pairlist.cpp:162-4104 [...].omp_outlined..9#0x65dd70InBetween0.020.030.030.030.050.040.040.040.031.641.761.811.801.661.341.120.850.820.190.140.080.070.070.060.050.040.0313.668.054.822.911.531.300.970.270.200.190.130.070.050.040.020.020.010.0013.667.984.522.781.370.690.450.140.11124816204070944.177.361.471.527.311.061.211.411.552.061.933.182.73NANANANANA100.70.010.70.010.440.020.270.040.290.030.160.040.210.030.210.03
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*)Innermost0.000.020.020.020.040.020.020.030.030.000.020.020.020.040.020.020.030.030.200.170.260.140.070.080.040.040.200.170.260.140.070.080.040.040.100.040.030.030.010.010.000.000.100.040.030.030.010.010.000.001117812435406.251.431.436.401112.011.712.192.892.7111201010101010101010
15415libgromacs_mpi.so.9.0.0 - update.cpp:498-501 [...].omp_outlined..70Single0.180.240.410.400.260.070.030.040.030.180.240.410.400.260.070.030.040.031.491.131.140.740.280.090.050.030.021.491.131.140.740.280.090.050.030.021.491.101.020.610.210.040.010.010.001.491.101.020.610.210.040.010.010.001248162038738684.6286.541.1111.111.031.111.211.321.462.552.942.7225000100.680.080.360.260.30.280.440.151.2801.9901.6901.870
1753libgromacs_mpi.so.9.0.0 - vector.tcc:477-504 [...].omp_outlined..9#0x65dd70InBetween0.090.070.070.060.050.050.030.030.030.090.070.070.060.050.050.030.030.030.730.330.190.120.050.060.050.030.030.730.330.190.120.050.060.050.030.030.730.330.180.090.040.020.010.010.000.730.330.180.090.040.020.010.010.00124816204065897.1411.384.718.61111.091.271.311.622.62.873.4NANANANANA101.101.04-00.9601.1800.9800.8601.05-00.910
17646libgromacs_mpi.so.9.0.0 - fft5d.cpp:783-789fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.000.010.010.030.060.040.040.030.030.000.690.780.650.530.430.300.690.600.050.050.060.080.100.080.040.033.262.131.050.500.680.380.440.310.050.040.040.050.020.020.010.003.151.941.000.440.220.120.120.08248161224425809.81118.3701.051.381.521.622.031.762.372.221.75001.501010101010101010
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...Single0.110.100.090.080.080.050.030.040.030.110.100.090.080.080.050.030.040.030.880.540.330.210.110.080.040.050.020.880.540.330.210.110.080.040.050.020.880.470.230.130.060.030.010.010.000.880.470.230.130.060.030.010.010.001248161940688899.8496.711.011111.141.441.631.751.852.133.782.86203030100.930.010.9600.850.010.870.011.07-01.04-00.9601.13-0
4169libgromacs_mpi.so.9.0.0 - vec.h:141-147.omp_outlined..17Innermost0.060.080.060.060.060.030.020.030.030.060.080.060.060.060.030.020.030.030.490.360.220.120.100.050.050.030.040.490.360.220.120.100.050.050.030.040.490.350.150.100.050.010.010.000.000.490.350.150.100.050.010.010.000.0012481518335678100501.041.08211.031.431.252.172.153.272.54.1902000100.710.020.80.010.610.030.670.021.06-00.9700.8600.650.01
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...Innermost0.070.070.050.050.040.030.020.030.030.070.070.050.050.040.030.020.030.030.550.350.170.170.100.070.040.050.040.550.350.170.170.100.070.040.050.040.550.310.130.080.040.020.010.010.000.550.310.130.080.040.020.010.010.00124815153145611.967.351.31.187.8211.151.322.132.682.212.073.673.3420031100.90.011.07-00.860.010.9801.08-00.9100.80.010.750.01
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*...Innermost0.070.060.060.050.050.030.020.030.030.070.060.060.050.050.030.020.030.030.550.310.240.110.100.070.050.040.040.550.310.240.110.100.070.050.040.040.550.270.150.080.040.020.010.000.000.550.270.150.080.040.020.010.000.001248161829507107.231.3319.4111.141.591.442.412.232.642.973.50110.50101.04-00.90.010.9100.830.010.9801.01-00.9300.770.01
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*...Outermost0.070.070.060.050.050.030.020.030.030.090.080.080.060.070.040.030.030.030.610.310.220.150.250.180.100.070.050.730.370.250.180.310.220.130.080.050.610.310.160.080.040.020.010.000.000.730.360.190.090.050.020.010.010.0012486816193797.3394.41.0311.0211.011.361.952.142.723.022.082.683022.50100.9900.9500.9900.870.011.15-01.15-01.01-00.880
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>)Single0.020.020.020.020.020.020.020.020.020.020.020.020.020.020.020.020.020.020.130.120.070.060.040.030.030.020.020.130.120.070.060.040.030.030.020.020.130.110.060.040.020.010.010.000.000.130.110.060.040.020.010.010.000.001248162035577206.621115.5211.051.241.732.2222.662.852.9NANANANANA100.610.010.60.010.450.010.410.010.450.010.290.010.270.020.220.02
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...InBetween0.000.030.020.030.040.010.020.020.020.000.030.020.030.040.030.030.040.040.130.080.070.060.020.030.020.020.130.080.070.060.050.050.040.030.120.060.050.030.010.010.000.000.120.060.050.030.020.010.010.012481617325266010.21119.9701.131.511.421.832.021.982.292.75NANANANANA1010101010101010
17298libgromacs_mpi.so.9.0.0 - pme_grid.cpp:123-127gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)Innermost0.000.000.000.000.000.000.000.040.020.000.000.000.000.000.000.000.040.020.050.030.050.030.010.000.010.00424910050111.3300000001.982.56020001010
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)Innermost0.000.000.030.080.040.020.010.020.020.000.000.030.080.040.020.010.020.020.140.190.080.030.030.020.020.140.190.080.030.030.020.020.070.130.040.010.000.000.000.070.130.040.010.000.000.0048161731466408.33116.15002.041.562.291.8932.992.290111010101010101010
1735libgromacs_mpi.so.9.0.0 - pairlist.cpp:233-4126 [...].omp_outlined..9#0x65dd70InBetween0.020.030.030.020.030.020.020.020.020.030.070.060.060.080.060.060.070.070.140.160.090.060.060.030.040.020.020.260.360.200.160.110.090.090.050.040.140.160.070.040.030.010.010.000.000.270.340.160.100.070.030.020.010.011248161935577512.210.981.711.432.1911.061.291.712.311.932.332.912.7NANANANANA100.450.020.50.010.50.010.310.020.410.010.270.020.280.020.250.02
1747libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.050.060.040.040.040.030.020.020.020.080.090.070.070.050.040.030.030.030.450.260.140.090.050.030.030.010.020.690.390.210.130.080.060.040.020.020.450.260.110.060.030.010.010.000.000.690.390.180.100.040.020.010.000.001248162037547806.99117.0211.021.261.551.631.562.21.882.86NANANANANA100.870.011.01-00.9200.910100.8901.03-00.820
15303libgromacs_mpi.so.9.0.0 - sim_util.cpp:151-151 [...].omp_outlined..73Single0.020.020.030.040.030.010.010.020.020.020.020.030.040.030.010.010.020.020.140.100.080.100.050.030.030.020.020.140.100.080.100.050.030.030.020.020.140.080.060.070.020.010.010.000.000.140.080.060.070.020.010.010.000.001248161833537528.5711.611.331.235.5711.331.251.452.082.572.52.342.0820200100.9300.550.010.250.030.360.020.6700.420.010.410.010.260.02
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...Innermost0.000.000.000.000.000.020.020.020.020.000.000.000.000.000.020.020.020.020.040.040.030.020.040.040.030.020.010.010.000.000.010.010.000.001934497606.251116000002.23.443.022.920001010101010
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)Innermost0.000.000.010.020.010.010.010.020.020.000.000.010.020.010.010.010.020.020.060.060.020.020.030.020.010.060.060.020.020.030.020.010.030.030.010.010.010.000.000.030.030.010.010.010.000.0048131828416708.33115.650021.761.7322.32.521.971111010101010101010
17437libgromacs_mpi.so.9.0.0 - pme_solve.cpp:556-560solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.050.050.050.030.040.020.010.020.020.050.050.050.030.040.020.010.020.020.420.310.150.070.050.040.030.030.030.420.310.150.070.050.040.030.030.030.430.250.130.050.030.010.010.000.000.430.250.130.050.030.010.010.000.001248161224375210058.3311.31.3711.231.141.441.681.891.672.283.0602000100.860.010.810.011.09-00.8901.4901.18-01.03-00.820
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)Outermost0.010.020.020.020.020.020.020.020.021.091.061.061.070.840.730.560.500.440.090.080.080.050.040.030.020.020.029.104.942.701.740.860.710.440.180.140.090.080.060.030.020.010.010.000.009.104.822.631.650.690.380.220.080.061248162035476623.5524.61.0111.7111.031.311.731.962.092.062.472.690.670.671.672.671100.580.010.370.020.350.010.310.010.270.010.210.010.230.010.180.02
4234libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:78-78 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Single0.130.120.120.150.120.050.010.020.020.130.120.120.150.120.050.010.020.021.050.540.350.260.150.070.030.020.011.050.540.350.260.150.070.030.020.011.050.530.310.230.100.020.010.000.001.050.530.310.230.100.020.010.000.00124816193140591005011211.031.151.151.611.882.122.192.190100110100.860.020.580.060.680.041.3902.8802.8502.580
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*, ...Outermost0.000.000.000.000.000.020.010.020.020.000.000.000.000.000.020.010.020.020.040.020.020.020.040.020.020.020.010.000.000.000.010.000.000.002031495807.51114.4000001.942.142.652.15NANANANANA10101010
17444libgromacs_mpi.so.9.0.0 - pme_solve.cpp:523-530solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.040.040.030.030.030.010.020.010.040.040.040.030.030.030.010.020.010.360.200.150.060.040.060.030.030.020.360.200.150.060.040.060.030.030.020.360.190.100.050.020.010.010.000.000.360.190.100.050.020.010.010.000.00124816122335451005011111.111.481.351.941.7322.473.0413000100.9700.8900.9301.09-00.80.011.04-00.8400.960
1744libgromacs_mpi.so.9.0.0 - pairlist.cpp:1330-1430 [...].omp_outlined..9#0x65dd70InBetween0.010.020.020.020.020.010.010.020.010.110.120.120.120.090.070.060.060.070.120.090.070.060.040.030.030.020.020.910.560.350.250.110.110.110.040.040.120.080.050.030.020.010.010.000.000.910.540.290.190.080.040.020.010.011248162032485606.25116.6711.151.431.962.612.612.822.463.11NANANANANA100.7600.590.010.470.010.510.010.540.010.370.010.320.010.340.01
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])Single0.040.050.030.030.040.020.020.020.010.040.050.030.030.040.020.020.020.010.350.230.090.070.060.040.020.020.020.350.230.090.070.060.040.020.020.020.350.230.080.050.030.010.010.000.000.350.230.080.050.030.010.010.000.001248161832435506.25119.611.021.191.491.872.222.083.212.2910200100.780.011.09-00.9300.740.011.08-00.9101.03-00.960
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)Innermost0.000.000.020.060.030.010.010.010.010.000.000.020.060.030.010.010.010.010.080.140.050.040.020.010.020.080.140.050.040.020.010.020.060.100.020.010.000.000.000.060.100.020.010.000.000.0048161730394708.33116.15001.451.452.483.782.142.253.360111010101010101010
17288libgromacs_mpi.so.9.0.0 - pme_grid.cpp:166-172gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)Innermost0.000.000.000.000.000.000.000.020.010.000.000.000.000.000.000.000.020.010.030.010.030.010.000.000.000.00384310050111.200000002.262.05020001010
4163libgromacs_mpi.so.9.0.0 - threaded_force_buffer.cpp:171-211 [...].omp_outlined..17Outermost0.010.020.020.020.020.020.010.010.010.080.100.100.100.090.050.030.040.050.120.070.070.060.060.040.040.020.020.690.500.310.180.170.110.070.040.050.120.070.040.030.020.010.000.000.000.690.470.240.150.080.030.010.010.011248141423414455.2629.772.6911311.071.651.82.622.073.162.782.13NANANANANA100.8600.710.010.490.010.370.020.390.010.470.010.40.010.380.01
17293libgromacs_mpi.so.9.0.0 - pme_grid.cpp:166-177 [...]gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)Innermost0.000.000.000.000.000.000.000.020.010.000.000.000.000.000.000.000.020.010.020.010.020.010.000.000.000.00383610050111.3300000002.292.04020001010
3212libgromacs_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)Innermost0.000.020.000.000.000.000.000.000.000.000.020.000.000.000.000.000.000.000.110.110.110.11208.33116.1501.0500000000111010
3331libgromacs_mpi.so.9.0.0 - localtopology.cpp:417-577 [...]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...Outermost0.030.000.000.000.000.000.000.000.000.040.000.000.000.000.000.000.000.000.240.340.240.3418.478.982.8818.25100000000NANANANANA10
3323libgromacs_mpi.so.9.0.0 - localtopology.cpp:749-751 [...]void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...InBetween0.040.000.000.000.000.000.000.000.000.040.000.000.000.000.000.000.000.000.300.300.290.291010.941111.15100000000NANANANANA10
17420libgromacs_mpi.so.9.0.0 - pme_redistribute.cpp:436-449 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Single0.000.180.210.290.250.000.000.000.000.000.180.210.290.250.000.000.000.000.930.630.600.280.930.630.600.280.810.540.450.200.810.540.450.202481622.2211.111.441.435.4901.141.191.321.3600001111.5110101010
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...Innermost0.000.040.040.050.040.000.000.000.000.000.040.040.050.040.000.000.000.000.170.130.110.070.170.130.110.070.160.090.070.040.160.090.070.042481514.299.383.3619.5501.091.391.471.9100001210110101010
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