options

Loops Index

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

Colums Filter

Level Coverage 1x1 (%) Coverage 2x1 (%) Coverage 4x1 (%) Coverage 8x1 (%) Coverage 16x1 (%) Coverage 32x1 (%) Coverage 64x1 (%) Max Time Over Threads 1x1 (s) Max Time Over Threads 2x1 (s) Max Time Over Threads 4x1 (s) Max Time Over Threads 8x1 (s) Max Time Over Threads 16x1 (s) Max Time Over Threads 32x1 (s) Max Time Over Threads 64x1 (s) Time w.r.t. Wall Time 1x1 (s) Time w.r.t. Wall Time 2x1 (s) Time w.r.t. Wall Time 4x1 (s) Time w.r.t. Wall Time 8x1 (s) Time w.r.t. Wall Time 16x1 (s) Time w.r.t. Wall Time 32x1 (s) Time w.r.t. Wall Time 64x1 (s) Nb Threads 1x1 Nb Threads 2x1 Nb Threads 4x1 Nb Threads 8x1 Nb Threads 16x1 Nb Threads 32x1 Nb Threads 64x1 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 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 (%)
Loop idSource LocationSource FunctionLevelCoverage 1x1 (%)Coverage 2x1 (%)Coverage 4x1 (%)Coverage 8x1 (%)Coverage 16x1 (%)Coverage 32x1 (%)Coverage 64x1 (%)Max Time Over Threads 1x1 (s)Max Time Over Threads 2x1 (s)Max Time Over Threads 4x1 (s)Max Time Over Threads 8x1 (s)Max Time Over Threads 16x1 (s)Max Time Over Threads 32x1 (s)Max Time Over Threads 64x1 (s)Time w.r.t. Wall Time 1x1 (s)Time w.r.t. Wall Time 2x1 (s)Time w.r.t. Wall Time 4x1 (s)Time w.r.t. Wall Time 8x1 (s)Time w.r.t. Wall Time 16x1 (s)Time w.r.t. Wall Time 32x1 (s)Time w.r.t. Wall Time 64x1 (s)Nb Threads 1x1Nb Threads 2x1Nb Threads 4x1Nb Threads 8x1Nb Threads 16x1Nb Threads 32x1Nb Threads 64x1Vectorization 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 64x1Stride 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 (%)
1332libgromacs_mpi.so.7.0.0 - kernel_outer.h:590-590 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Single45.7645.1644.044341.9435.2733.31927.59500.23298.01156.3889.8161.1431.77927.59465.95234.16119.3962.431.5116.67124816244899.7151.5111.54211.071.271.311.441.471.45NANANANANA1010.210.990.430.971.240.932.970.922.820.874.35
1328libgromacs_mpi.so.7.0.0 - kernel_outer.h:608-608 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost17.517.3917.2517.0614.8612.9611.37354.68208.97126.4771.3739.7730.2520.8354.68179.4391.7147.3822.1111.575.69124816244899.7251.1411.57211.171.381.511.81.972.78NANANANANA100.990.20.970.570.941.1100.960.540.970.3
1338libgromacs_mpi.so.7.0.0 - kernel_outer.h:590-590 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Single6.796.696.566.376.165.244.94137.674.2944.7123.1413.229.094.79137.669.0134.8617.699.174.682.47124816244810050.6911.31211.081.281.311.441.471.47NANANANANA1010.020.990.090.970.180.940.380.920.430.870.64
1336libgromacs_mpi.so.7.0.0 - kernel_outer.h:608-608 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost2.72.722.652.632.292.011.7454.832.7919.7610.856.154.723.154.828.0114.17.33.411.790.87124816244810050.5311.24211.171.41.491.811.992.7NANANANANA100.980.060.970.080.940.16100.960.090.980.03
19948libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost1.921.110.770.720.650.550.4938.9611.514.312.161.062.11.1338.9611.444.1120.960.490.24124816816NANA1NANA11.011.051.081.11.071.16NANANANANA101.702.3702.4402.5402.4802.540
1891libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:115-181 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost1.711.71.671.641.511.371.2134.7217.79.244.862.391.750.8934.7217.578.884.542.241.230.6124816244889.7446.791.031.61211.011.041.071.071.081.11NANANANANA100.990.020.980.040.960.070.970.050.880.160.90.12
19598libgromacs_mpi.so.7.0.0 - vectypes.h:102-102 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)InBetween1.651.591.511.471.351.151.0233.3616.919.024.312.284.492.2433.3616.458.044.092.011.030.5112481681670.5138.541.642.183.0211.031.121.051.131.11.11NANANANANA101.0101.0401.0201.0401.0101.020
1330libgromacs_mpi.so.7.0.0 - kernel_outer.h:624-624 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.421.361.341.291.291.011.0228.7814.469.224.779.135.063.7728.7814.067.113.571.920.90.5112488152299.0150.8611.62211.031.31.342.382.652.56NANANANANA101.0201.0101.0100.940.08100.880.12
1331libgromacs_mpi.so.7.0.0 - kernel_outer.h:584-587 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Single1.311.31.311.251.21.050.9626.4914.358.894.442.461.730.9326.4913.446.943.481.790.940.48124816244898.9450.2611.5211.071.281.281.371.41.48NANANANANA100.990.020.950.060.950.060.920.090.880.130.860.13
19855libgromacs_mpi.so.7.0.0 - pme_spread.cpp:358-400 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]InBetween1.261.241.161.131.080.860.7925.513.276.853.421.763.281.725.512.756.173.151.60.770.3912481681678.8942.222.851.795.4811.041.111.091.11.081.09NANANANANA10101.0301.010101.0301.020
19868libgromacs_mpi.so.7.0.0 - pme_spread.cpp:277-292 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1]Outermost1.241.241.221.161.10.910.8225.2313.087.113.691.823.411.8125.2312.796.53.231.630.810.4112481681627.1224.153.2915.611.021.11.141.121.061.12NANANANANA100.990.020.970.040.980.030.970.040.970.020.960.03
1327libgromacs_mpi.so.7.0.0 - kernel_outer.h:602-605 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.11.091.081.080.970.840.7422.3812.858.134.52.721.931.5122.3811.215.772.991.440.750.37124816244798.9950.1311.52211.151.411.511.891.933.02NANANANANA10100.970.030.940.070.970.030.930.060.950.04
19118libgromacs_mpi.so.7.0.0 - bonded.cpp:1151-1178 [...]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*...Single0.820.80.790.770.70.640.5616.719.455.392.931.941.441.116.718.244.232.141.040.570.28124816244590.2446.3411.312.111.151.271.371.871.922.82NANANANANA101.0100.990.010.980.02100.920.050.930.04
17014libgromacs_mpi.so.7.0.0 - lincs.cpp:276-287 [...]gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0]InBetween0.760.850.860.910.60.50.415.429.66.483.821.881.391.0515.428.794.592.540.90.450.21248162444012.51.71811.091.411.52.112.363.62NANANANANA100.880.10.840.140.760.221.0701.0701.20
17376libgromacs_mpi.so.7.0.0 - settle.cpp:423-431 [...]void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 4, float const*, true, false>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) [clone .constprop.0]Single0.60.550.560.540.480.430.412.086.183.742.141.020.790.4612.085.722.991.50.720.380.2124816244889.2147.6611.381.6211.081.251.431.441.551.77NANANANANA101.0601.0101.0101.0500.9900.940.02
19193libgromacs_mpi.so.7.0.0 - bonded.cpp:2066-2124 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...Single0.580.560.530.490.490.410.3811.716.84.132.21.510.990.8211.715.742.821.370.730.360.19124816244373.9142.091.571.361.3411.181.461.612.12.062.93NANANANANA101.0201.0401.070101.0200.960.01
1326libgromacs_mpi.so.7.0.0 - arm_neon.h:786-30236 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)InBetween0.480.50.570.670.620.650.79.85.313.172.071.21.050.629.85.143.061.850.920.580.35124816244875.6847.841.241.231.3611.031.041.121.31.361.35NANANANANA100.950.020.80.110.660.230.670.210.530.310.440.39
19801libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.350.320.320.310.30.250.2173.321.810.930.540.930.4773.271.730.860.440.220.112481681698.4649.4211.442.0311.021.051.081.231.061.15NANANANANA101.0701.0101.0200.9900.9901.090
19944libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.350.340.330.30.260.250.197.043.631.840.940.450.970.477.043.521.730.840.380.220.1124816816NANA1NANA11.031.061.121.181.11.24NANANANANA10101.0201.0501.160101.10
3054libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:135-277 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.350.360.40.410.560.530.497.144.072.151.241.090.760.427.143.762.111.150.840.470.2512481624488.7917.727.3717.5211.081.021.081.311.211.31NANANANANA100.950.020.850.060.780.090.530.260.470.280.450.27
19399libgromacs_mpi.so.7.0.0 - pairs.cpp:863-894 [...]do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...Single0.340.340.330.310.290.250.256.984.132.41.390.750.60.466.983.541.740.850.430.220.12124816224469.5438.581.681.544.0411.171.381.641.741.882.56NANANANANA100.990101.0301.0100.9900.910.02
3061libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:136-195 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.30.290.290.310.270.240.236.033.161.630.920.470.390.226.033.011.540.870.40.210.11124816244878.5744.871.191.311.8111.051.061.061.171.391.47NANANANANA10100.980.010.870.040.940.020.90.020.860.03
17017libgromacs_mpi.so.7.0.0 - lincs.cpp:276-287 [...]gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0]InBetween0.270.320.360.420.320.290.225.473.662.711.661.020.840.655.473.311.91.170.480.260.111248162342012.51.71811.111.431.422.132.333.82NANANANANA100.830.060.720.10.580.170.710.090.660.10.780.05
19892libgromacs_mpi.so.7.0.0 - pme_spread.cpp:104-145 [...]spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.0]Innermost0.260.250.260.250.240.20.185.182.581.460.760.450.780.445.182.571.390.70.360.180.09124816816012.52.1618111.051.091.251.111.22NANANANANA101.0100.930.020.930.020.90.020.90.020.90.02
17008libgromacs_mpi.so.7.0.0 - lincs.cpp:368-383 [...]gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])Single0.250.250.260.280.240.220.214.992.711.61.030.720.490.424.992.561.390.780.350.190.11248162444NANANANANA11.061.151.322.061.882.8NANANANANA100.970.010.90.030.80.060.890.030.820.040.780.05
19597libgromacs_mpi.so.7.0.0 - pme_gather.cpp:323-334gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Innermost0.250.280.280.260.230.210.195.152.951.640.870.440.820.475.152.871.480.710.340.190.11248168160153.51711.031.111.231.291.111.24NANANANANA100.90.030.870.040.910.020.950.010.850.030.80.04
19636libgromacs_mpi.so.7.0.0 - pme_grid.cpp:303-309 [...]copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)Innermost0.220.240.240.220.230.170.184.522.581.350.770.440.730.474.522.451.280.620.350.150.091248168161005011211.051.061.241.291.221.31NANANANANA100.920.020.880.030.910.020.810.040.940.010.780.04
1337libgromacs_mpi.so.7.0.0 - kernel_outer.h:584-587 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Single0.20.190.20.190.20.150.154.052.141.270.690.470.280.184.052.011.080.530.30.140.07124816244899.3650.411.23211.071.181.31.571.561.8NANANANANA101.0100.940.010.960.010.840.030.90.010.90.01
1335libgromacs_mpi.so.7.0.0 - kernel_outer.h:602-605 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.190.190.190.210.170.150.133.92.271.40.890.50.360.313.91.961.030.580.250.130.06124816224499.4250.5111.31211.161.361.5621.893.44NANANANANA100.9900.950.010.840.030.9700.940.011.020
17040libgromacs_mpi.so.7.0.0 - lincs.cpp:798-798 [...]gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...Single0.190.210.20.210.20.180.173.912.261.420.710.550.410.313.912.121.050.570.290.160.08124816244592.0647.6211.232.0911.071.371.251.91.952.58NANANANANA100.920.020.930.010.860.030.840.030.760.040.760.04
1340libgromacs_mpi.so.7.0.0 - kernel_outer.h:624-624 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Single0.180.170.160.170.170.120.133.621.871.060.671.270.630.553.621.710.850.460.260.110.071248881699.2650.6511.62211.091.251.462.441.52.12NANANANANA101.0601.0600.9800.870.021.0300.810.02
17037libgromacs_mpi.so.7.0.0 - lincs.cpp:1085-1089 [...]gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...Outermost0.170.20.210.230.210.190.183.442.241.390.890.590.530.383.442.021.10.630.320.170.09124816224325.8115.731.2516.3211.111.261.411.92.122.92NANANANANA100.850.030.780.050.680.070.670.070.630.070.60.07
19641libgromacs_mpi.so.7.0.0 - pme_grid.cpp:402-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.130.140.140.130.140.10.12.731.540.830.430.260.360.232.731.480.760.350.210.090.051248168161005011211.041.091.231.241.061.15NANANANANA100.920.010.90.010.9800.810.030.950.010.850.01
1329libgromacs_mpi.so.7.0.0 - kernel_outer.h:618-621 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.120.110.120.110.110.080.082.491.220.870.490.810.480.412.491.180.620.30.160.080.041248891798.1750.6911.58211.031.41.632.611.782.56NANANANANA101.060101.0400.9700.9700.970
3059libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:204-262 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.110.120.110.120.140.130.112.161.260.650.40.290.20.112.161.20.610.330.210.110.0512481624488045.451.131.331.7211.061.071.251.381.331.57NANANANANA100.90.010.890.010.820.020.640.050.610.050.680.04
17029libgromacs_mpi.so.7.0.0 - lincs.cpp:919-919 [...]gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...Innermost0.110.110.110.130.110.10.112.261.210.720.50.390.260.182.261.10.610.350.170.090.05124816224294.5947.9711.22211.11.181.432.2922.25NANANANANA101.0300.930.010.810.030.830.020.780.020.710.03
19802libgromacs_mpi.so.7.0.0 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.10.120.110.110.10.080.071.981.20.630.330.180.360.211.981.190.570.310.150.080.0412481681661.8234.771.571.79411.011.111.061.21.21.5NANANANANA100.830.020.870.010.80.020.830.020.770.020.770.02
19200libgromacs_mpi.so.7.0.0 - cmath:464-464 [...]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...InBetween0.10.10.110.090.080.070.072.11.250.750.370.270.190.182.11.080.560.260.130.060.03124815224025.9315.741.2717.5711.161.341.422.082.113.6NANANANANA100.9700.940.011.0101.0101.0901.090
1927libgromacs_mpi.so.7.0.0 - atomdata.cpp:193-203copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Innermost0.090.120.120.180.210.170.21.731.250.770.570.40.30.181.731.20.640.490.320.160.11248162448012.51.811811.051.21.161.251.431.38NANANANANA100.720.030.680.040.440.10.340.140.340.110.270.15
1907libgromacs_mpi.so.7.0.0 - atomdata.cpp:1163-1169 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0]Innermost0.090.120.140.180.170.170.181.891.280.80.560.350.310.171.891.220.750.50.250.150.09124816244814.2914.291.771811.051.071.121.41.551.42NANANANANA100.770.030.630.050.470.090.470.090.390.10.330.12
19795libgromacs_mpi.so.7.0.0 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.090.090.090.090.080.060.061.80.960.530.290.160.260.181.80.960.480.250.120.050.0312481681697.4449.0411.452.03111.11.161.331.181.5NANANANANA100.940.010.940.010.90.010.9401.1300.940
19800libgromacs_mpi.so.7.0.0 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.080.080.080.070.060.051.670.890.470.270.130.230.131.670.790.420.230.10.050.0312481681660351.51.5411.131.121.171.31.151.18NANANANANA101.0600.9900.910.011.0401.0400.870.01
19798libgromacs_mpi.so.7.0.0 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.080.080.070.080.060.051.640.870.460.230.180.250.141.640.840.420.190.110.050.031248168169648.511.492.0611.041.11.211.641.251.4NANANANANA100.9800.9801.0800.930.011.0200.850.01
3057libgromacs_mpi.so.7.0.0 - stl_vector.h:919-1198 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.080.070.070.060.050.040.031.720.70.430.210.10.070.051.720.690.380.180.080.040.021248162447015.63116.611.011.131.171.251.42.5NANANANANA101.2501.1301.1901.3401.3401.340
17120libgromacs_mpi.so.7.0.0 - md_support.cpp:139-157 [...]calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone ._omp_fn.0]Innermost0.070.070.070.060.060.050.051.460.720.40.220.130.10.071.460.690.380.180.090.050.02124816244820.5915.071.1216.7611.041.081.221.441.672.33NANANANANA101.0600.9601.0101.0100.9101.140
17378libgromacs_mpi.so.7.0.0 - settle.cpp:423-674 [...]void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 4, float const*, true, true>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*)Single0.070.070.070.060.050.050.041.450.760.550.230.150.10.061.450.750.40.170.080.040.02124816244790.6848.9911.411.8411.011.381.351.881.672NANANANANA100.9700.910.011.0701.1301.1301.130
17593libgromacs_mpi.so.7.0.0 - update.cpp:481-481 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...Single0.070.090.120.080.120.080.081.410.990.710.240.250.150.11.410.960.620.210.170.070.04124816244889.1945.9511.132.2511.031.151.141.471.672NANANANANA100.730.020.570.050.840.010.520.060.630.030.550.04
1334libgromacs_mpi.so.7.0.0 - arm_neon.h:786-30236 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)InBetween0.070.070.080.090.090.090.091.350.790.480.310.170.130.11.350.770.420.240.130.080.05124816244870.6843.321.161.111.5611.031.141.291.311.31.67NANANANANA100.880.010.80.020.70.030.650.030.530.040.420.05
3060libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:136-146 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.070.080.080.080.080.070.071.50.860.430.240.170.120.081.50.830.40.210.120.060.03124816244862.539.0611.471.5711.051.071.141.421.51.6NANANANANA100.90.010.940.010.890.010.780.020.780.020.780.02
19793libgromacs_mpi.so.7.0.0 - pme_solve.cpp:98-587 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)InBetween0.060.050.060.050.050.040.041.160.580.350.180.090.160.111.160.550.30.150.080.030.0212481681652.3830.112.222.051.3511.051.171.21.131.141.38NANANANANA101.0500.9700.9700.9101.2100.910
19112libgromacs_mpi.so.7.0.0 - bonded.cpp:129-1867 [...]void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) [clone .isra.0]Single0.060.050.060.050.050.040.041.170.610.450.210.140.110.081.170.550.30.140.070.030.02124815223831.3421.641.31.215.2211.131.51.522.22NANANANANA101.0600.9701.0401.0401.2200.910
19400libgromacs_mpi.so.7.0.0 - pairs.cpp:606-824 [...]do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ...Single0.060.060.060.060.060.040.041.210.70.440.270.210.110.091.210.570.30.150.080.040.02124815224212.0515.661.971.587.1111.231.471.82.331.833NANANANANA101.0601.0101.0100.9500.9500.950
19809libgromacs_mpi.so.7.0.0 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.050.040.040.040.040.030.030.930.410.220.150.080.170.080.930.370.210.10.060.030.01124816816012.51.421811.111.051.51.331.551.33NANANANANA101.2601.1101.1600.9700.9701.450
19194libgromacs_mpi.so.7.0.0 - bonded.cpp:2179-2254 [...]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*...Single0.050.050.050.040.040.040.031.090.560.370.180.240.20.151.090.50.240.110.050.030.021248881677.0541.751.471.321.5211.121.541.642.181.542.5NANANANANA101.0901.1401.2401.3601.1400.850
19234libgromacs_mpi.so.7.0.0 - 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...Innermost0.050.040.040.040.040.030.031.030.520.330.220.120.080.061.030.450.210.120.060.030.0112481422372015.631.7417.3811.161.571.831.7123NANANANANA101.1401.2301.0701.0701.0701.610
19808libgromacs_mpi.so.7.0.0 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.050.050.050.050.040.030.0310.470.290.180.080.160.0810.470.270.130.060.030.02124816816012.51.4218111.071.381.331.331.33NANANANANA101.0600.9300.9601.0401.0400.780.01
3058libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:204-214 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.040.040.040.040.040.040.040.740.50.250.140.090.070.050.740.450.20.110.070.030.02124816244866.6740.8311.51.5111.111.251.271.51.752.5NANANANANA100.820.010.9200.840.010.660.010.770.010.580.02
17551libgromacs_mpi.so.7.0.0 - update.cpp:1641-1641gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone ._omp_fn.0]Innermost0.040.040.040.040.040.030.030.80.450.230.130.10.090.050.790.450.210.110.050.030.011248162446NANA1NANA111.11.18232.5NANANANANA100.8800.9400.900.9900.820.011.230
3050libgromacs_mpi.so.7.0.0 - pairlist.cpp:1305-1420 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.040.040.050.050.040.030.030.840.470.320.180.130.070.050.840.440.260.130.050.030.021248162446013.54117.5611.091.281.382.61.752.5NANANANANA100.9500.810.010.810.011.0500.8800.660.01
3045libgromacs_mpi.so.7.0.0 - stl_vector.h:919-1798 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.030.030.030.030.040.040.040.630.30.20.120.080.080.050.630.30.170.10.070.030.02124816244821.822.274.972.157.2511.031.181.21.141.61.67NANANANANA101.0500.9300.790.010.560.020.660.010.490.02
19805libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.030.040.040.030.030.030.020.710.450.230.110.080.130.070.710.40.20.080.050.020.0112481681698.4649.4211.442.0311.131.151.381.61.31.75NANANANANA100.8900.8901.1100.8901.1101.110
19949libgromacs_mpi.so.7.0.0 - fft5d.cpp:880-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.030.010.010.010.010.010.010.540.180.110.050.040.050.040.540.150.070.040.020.010124815814012.511811.21.571.2521.252NANANANANA101.801.9301.6901.6901.69010
16409libgromacs_mpi.so.7.0.0 - calcvir.cpp:61-81 [...]calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])Single0.030.020.030.020.030.020.020.560.220.150.060.060.040.040.560.190.130.050.040.020.011248162443012.811811.161.151.21.524NANANANANA101.4701.0801.400.8800.8800.880
5132libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:200-200 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...Innermost0.030.020.030.030.030.030.020.550.230.170.130.110.090.060.550.230.160.10.040.030.01124816203693.7555.4711.291.53111.061.32.752.253NANANANANA101.200.8600.690.010.8600.570.010.860
1890libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:76-181 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)InBetween0.030.030.040.040.050.050.050.520.310.220.140.090.10.070.520.280.190.120.070.050.03124816244858.1631.162.3216.8911.111.161.171.291.672.33NANANANANA100.9300.680.010.540.020.460.030.330.030.270.04
3046libgromacs_mpi.so.7.0.0 - pairlist.cpp:1981-1985PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.020.010.010.010.020.010.010.330.170.10.080.040.030.020.330.130.070.030.020.010.011248142239012.511811.311.432.671.3332NANANANANA101.2701.1801.3801.0301.0300.520
19804libgromacs_mpi.so.7.0.0 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.020.020.010.010.010.010.010.30.190.060.040.040.050.040.30.170.060.030.020.01012481681581.8243.1811.52.2111.1211.3321.252NANANANANA100.8801.2501.2500.9400.94010
17581libgromacs_mpi.so.7.0.0 - update.cpp:361-387 [...]gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co...Single0.020.010.020.010.020.010.020.350.150.110.070.040.030.020.350.140.090.040.030.010.01124816234325.71201.081.055.611.071.381.751.3332NANANANANA101.2500.9701.0900.730.011.0900.550.01
5127libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:171-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...InBetween0.020.020.020.020.020.020.020.380.220.120.110.070.050.040.380.180.10.060.030.010.01124814203633.7528.592.532.061.3311.221.21.832.332.54NANANANANA101.0600.9500.7900.7901.1900.590.01
4136libgromacs_mpi.so.7.0.0 - localtopology.cpp:416-576 [...]int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...InBetween0.020000000.420.421016.351171000000NANANANANA10
1339libgromacs_mpi.so.7.0.0 - kernel_outer.h:618-621 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Single0.020.020.020.010.010.010.010.340.20.120.060.110.050.070.340.180.090.040.020.010.011248581598.5850.8911.6211.111.331.51.571.253.5NANANANANA100.9400.9401.0601.0601.0600.530
19660libgromacs_mpi.so.7.0.0 - pme_grid.cpp:436-442wrap_periodic_pmegrid(gmx_pme_t const*, float*)Outermost0.020.020.010.020.010.010.010.330.220.090.060.040.050.040.330.210.070.040.020.010124815816016.031.815.6811.051.291.521.252NANANANANA100.7901.1801.0301.0301.03010
17039libgromacs_mpi.so.7.0.0 - lincs.cpp:1087-1089 [...]gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...Innermost0.020.030.030.040.030.040.030.470.370.30.210.110.10.070.470.320.190.120.050.030.02124716213418.5214.811.1516.8911.161.671.622.222.33NANANANANA100.730.010.620.010.490.020.590.010.490.020.370.02
5533libgromacs_mpi.so.7.0.0 - pbc.cpp:823-1083 [...]pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)Outermost0.020.020.010.020.060.040.040.460.180.10.090.190.10.110.460.180.080.040.080.040.0212481521356.6717.087.862.347.33111.252.252.111.672.75NANANANANA101.2801.4401.4400.360.040.360.030.360.03
19617libgromacs_mpi.so.7.0.0 - pme_grid.cpp:529-539 [...]unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1]InBetween0.010.020.020.030.030.020.020.260.170.180.10.080.070.060.250.170.120.070.050.010.01124816816017.392.1715.611.061.51.431.61.172NANANANANA100.740.010.520.010.450.020.310.020.7800.390.01
3051libgromacs_mpi.so.7.0.0 - arrayref.h:82-82 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.020.010.010.010.010.010.260.190.10.070.030.050.020.260.170.070.040.010.0101248152329012.511811.121.431.7532.52NANANANANA100.7600.9300.8101.6300.81010
2960libgromacs_mpi.so.7.0.0 - pairlist.cpp:273-287void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)Outermost0.010.020.010.010.030.020.020.120.170.070.040.070.050.040.120.160.050.030.040.020.011248162446012.5171811.131.41.331.751.672NANANANANA100.380.010.600.50.010.190.020.190.020.190.02
19233libgromacs_mpi.so.7.0.0 - bonded.cpp:1912-2010 [...]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...InBetween0.010.010.010.010.010.010.010.180.110.080.080.030.020.030.180.090.060.030.010.0101246131626012.58.331811.221.332323NANANANANA10100.7500.7501.1300.56010
17034libgromacs_mpi.so.7.0.0 - lincs.cpp:1215-1223gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...Innermost0.010.010.010.010.010.010.010.20.120.080.070.030.020.020.20.110.050.040.010.01012481316214.7613.1117.6411.091.61.751.522NANANANANA100.910100.6301.2500.63010
3047libgromacs_mpi.so.7.0.0 - pairlist.cpp:1991-1995PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.010.010.010.010.010.010.010.280.120.080.040.020.030.010.280.120.060.020.010.0101247162129012.5118111.331.33231NANANANANA101.1701.1701.7501.7500.88010
5125libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:178-211 [...]void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...InBetween0.010.010.010.010.010.010.010.130.070.070.040.040.040.030.130.060.050.020.020.010.011247152138012.511811.171.751.33223NANANANANA101.0800.6500.8100.410.010.410.010.20.01
3043libgromacs_mpi.so.7.0.0 - pairlist.cpp:211-3490 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.010.010.010.020.010.010.010.140.140.080.060.030.030.010.140.120.060.040.020.01012481623344142.1817.7811.171.331.51.531NANANANANA100.5800.5800.440.010.440.010.440.0110
4172libgromacs_mpi.so.7.0.0 - stl_vector.h:919-1198 [...]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:...InBetween0.010000000.110.111018.751161000000NANANANANA10
19647libgromacs_mpi.so.7.0.0 - pme_grid.cpp:469-471wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010000000.110.11100501121000000NANANANANA10
4133libgromacs_mpi.so.7.0.0 - localtopology.cpp:108-716 [...]int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...InBetween0.010000000.160.161016.671181000000NANANANANA10
1923libgromacs_mpi.so.7.0.0 - atomdata.cpp:168-258 [...]copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Outermost0.010.010.010.020.070.080.130.120.130.050.080.160.150.160.120.130.050.060.110.070.071248162448013.694.6817.721111.331.451.671.78NANANANANA100.460.010.600.250.010.070.070.050.080.030.13
19201libgromacs_mpi.so.7.0.0 - bonded.cpp:444-1050 [...]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...Innermost0.010.010.010.010.010.010.010.190.110.070.060.030.010.020.190.090.060.030.010012481116241013.752.517.8411.221.1721.512NANANANANA101.0600.7900.7901.1901010
3055libgromacs_mpi.so.7.0.0 - pairlist.cpp:211-3472 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.010.010.010.010.030.020.020.210.110.060.040.080.060.030.210.10.050.030.040.020.011248162444013.242.571811.11.21.33221.5NANANANANA101.0501.0500.8800.330.020.330.010.330.01
3044libgromacs_mpi.so.7.0.0 - pairlist.cpp:211-3490 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.010.010.010.010.010.010.010.10.10.040.020.020.040.020.10.080.040.020.020.0101248162132012.952.091811.2511142NANANANANA100.6300.6300.6300.310.010.310.0110
3049libgromacs_mpi.so.7.0.0 - pairlist.cpp:1305-1420 [...]PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]InBetween0.010.010.010.010.010.010.010.220.130.060.040.030.030.030.220.120.050.040.010.010.011248162339012.511811.081.21333NANANANANA100.9201.100.6901.3800.6900.340.01
17142libgromacs_mpi.so.7.0.0 - mdatoms.cpp:327-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0]Outermost0.010.010.010.020.020.020.030.130.110.070.070.040.050.040.130.110.060.050.020.020.0212481624479.7615.554.7217.55111.171.421.672NANANANANA100.5900.5400.330.010.410.010.20.020.10.03
17438libgromacs_mpi.so.7.0.0 - sim_util.cpp:466-466 [...]setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) [clone .constprop.0]Single0.010.030.040.050.040.050.030.230.290.220.20.150.10.060.230.280.190.130.070.040.0212481624441001001.51111.041.161.542.1423NANANANANA100.410.020.30.030.220.040.210.030.180.040.180.02
2081libgromacs_mpi.so.7.0.0 - grid.cpp:415-420Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.2] [clone .isra.0]Single0.010.010.010.010.010.010.010.190.090.090.050.040.040.030.190.080.060.030.020.010.011248142441NANA1NANA11.131.51.67223NANANANANA101.1900.7900.7900.5900.5900.30.01
4165libgromacs_mpi.so.7.0.0 - localtopology.cpp:737-777 [...]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:...InBetween0.010000000.120.12127.4531.749.2115.621000000NANANANANA10
4015libgromacs_mpi.so.7.0.0 - domdec_specatomcomm.cpp:225-228 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], float (*) [3], float (*) [3], bool)Innermost000.030.060.050.050.070.20.280.120.130.10.150.160.070.050.0448162448012.51.2918001.331.751.712.172NANANANANA1010101010
19759libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:431-444 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Innermost00.050.050.070.07000.520.330.250.170.470.260.180.112481611.1118.751.571.46.1301.111.271.391.5500NANANANANA10101010
19753libgromacs_mpi.so.7.0.0 - pme_pp.cpp:573-573 [...]gmx_pme_receive_f(gmx::PmePpCommGpu*, t_commrec const*, gmx::ForceWithVirial*, float*, float*, float*, float*, bool, bool, float*)Single000000.040.050.080.060.040.02244814.2919.64115.49000001.62NANANANANA1010
19755libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:96-103pme_calc_pidx_wrapper(gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], PmeAtomComm*) [clone ._omp_fn.0]Innermost00.140.150.140.140.110.11.50.860.440.260.440.311.490.780.380.210.10.052481681620153.0917.5401.011.11.161.241.131.63NANANANANA101010101010
19623libgromacs_mpi.so.7.0.0 - pme_grid.cpp:254-256 [...]gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)Single00.010.010.030.050.020.040.080.080.110.110.080.10.070.060.080.070.010.02248168161005011201.141.331.381.571.331.25NANANANANA101010101010
19940libgromacs_mpi.so.7.0.0 - fft5d.cpp:814-820fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween00.020.090.070.210.060.160.220.510.270.370.270.380.220.480.20.310.050.0824816816012.511801.051.061.351.191.351.23NANANANANA101010101010
4154libgromacs_mpi.so.7.0.0 - localtopology.cpp:737-777 [...]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...InBetween00.010.010.010.010.010.010.070.050.040.030.030.030.060.040.020.010.010.0124814223526.6731.319.2715.6301.171.252333NANANANANA101010101010
19941libgromacs_mpi.so.7.0.0 - fft5d.cpp:818-820fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost00.240.140.1400.102.570.80.450.392.480.760.380.092488NANA1NANA01.041.051.1801.110NANANANANA10101010
19762libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:450-463 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Single000000.080.10.350.250.070.05816013.271.4917.85000001.31.25NANANANANA1010
4161libgromacs_mpi.so.7.0.0 - stl_vector.h:919-1198 [...]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...InBetween00.010.010.010.010.020.010.070.080.040.030.040.020.080.050.030.020.020.01248162441017.19116.15011.61.33322NANANANANA101010101010
4128libgromacs_mpi.so.7.0.0 - localtopology.cpp:505-536 [...]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...Innermost00.020.020.030.030.020.030.230.150.120.090.060.040.20.110.070.040.020.01248132436012.511801.151.361.711.822NANANANANA101010101010
3841libgromacs_mpi.so.7.0.0 - domdec.cpp:309-314 [...]dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)Innermost00.010.010.010.020.020.020.190.210.150.090.120.060.10.050.020.030.010.0111171013012.51.291801111.52.41.5NANANANANA101010101010
4127libgromacs_mpi.so.7.0.0 - localtopology.cpp:322-576 [...]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...Innermost00.020.020.030.030.030.020.30.20.150.10.10.060.250.130.090.040.030.01248152340016.222.7517.4401.21.541.6722.53NANANANANA101010101010
3851libgromacs_mpi.so.7.0.0 - domdec.cpp:428-432 [...]dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)Single00.020.040.090.140.130.130.290.270.310.240.220.140.240.240.250.20.110.0724816244812.514.061.1217.201.261.171.241.21.471.56NANANANANA101010101010
4012libgromacs_mpi.so.7.0.0 - domdec_specatomcomm.cpp:314-317 [...]dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], float (*) [3], float (*) [3], bool)Innermost00.02000000.180.172012.51.291801.0600000NANANANANA10
4151libgromacs_mpi.so.7.0.0 - 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...Innermost000000.020.010.050.030.020.012437NANA1NANA000002.53NANANANANA1010
19776libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:340-362 [...]do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)InBetween00.050.050.050.020.050.020.580.30.170.050.210.070.540.270.130.020.040.0124815816013.891.251801.071.111.312.51.311.75NANANANANA101010101010
4278libgromacs_mpi.so.7.0.0 - hashedmap.h:232-255 [...]clearDDStateIndices(gmx_domdec_t*, bool)Innermost000000.010.010.020.020.010.012136012.51180000022NANANANANA1010
4131libgromacs_mpi.so.7.0.0 - hashedmap.h:277-282 [...]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...Single000000.010.010.030.0200.011529NANA1NANA0000032NANANANANA1010
3840libgromacs_mpi.so.7.0.0 - domdec.cpp:301-303 [...]dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)Innermost00.010.020.040.050.050.070.150.140.160.110.110.090.080.10.120.070.050.04137152347NANA1NANA011.081.141.571.831.8NANANANANA101010101010
19777libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:340-362 [...]do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)Innermost00.080.090.110.180.080.110.90.630.430.330.450.290.790.490.30.260.070.0624816816012.811.81801.141.291.431.271.551.26NANANANANA101010101010
19761libgromacs_mpi.so.7.0.0 - arrayref.h:82-82 [...]dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool)Innermost00.040.040.040.01000.410.290.130.030.380.220.110.022481512.518.751.141.195.5701.081.321.181.500NANANANANA10101010
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