options

Loops Index

73 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 (%) Max Time Over Threads 1x1 (s) Time w.r.t. Wall Time 1x1 (s) Nb Threads 1x1 GFLOPS 1x1 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing 1x1 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelCoverage 1x1 (%)Max Time Over Threads 1x1 (s)Time w.r.t. Wall Time 1x1 (s)Nb Threads 1x1GFLOPS 1x1Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing 1x1Stride 0Stride 1Stride nStride UnknownStride Indirect
1327libgromacs_mpi.so.7 - 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*)Innermost43.38162.54162.5410.0096.4998.871.121.61.631NANANANANA
1329libgromacs_mpi.so.7 - 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*)Single16.5962.1562.1510.0095.7197.521.121.61.631NANANANANA
1335libgromacs_mpi.so.7 - 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*)Innermost6.3923.9623.9610.0095.0897.281.141.661.681NANANANANA
1337libgromacs_mpi.so.7 - 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*)Single2.499.359.3510.0095.7297.541.141.641.661NANANANANA
20234libgromacs_mpi.so.7 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost2.178.128.1210.00NANA1NANA1NANANANANA
1326libgromacs_mpi.so.7 - kernel_outer.h:353-657 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)InBetween1.756.576.5710.0067.7968.061.275.087.441NANANANANA
19901libgromacs_mpi.so.7 - pme_gather.cpp:247-251 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Innermost1.726.466.4610.0095.2449.411.631.581NANANANANA
20157libgromacs_mpi.so.7 - 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]Outermost1.616.036.0310.0048.6559.977.273.243.421NANANANANA
1328libgromacs_mpi.so.7 - impl_arm_sve_simd_float.h:83-555 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.595.955.9510.0090.0293.041.111.651.671NANANANANA
1330libgromacs_mpi.so.7 - impl_arm_sve_simd_float.h:83-555 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Single1.495.585.5810.0090.7293.311.111.631.651NANANANANA
1332libgromacs_mpi.so.7 - 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*)Single1.365.095.0910.0095.6397.391.11.411.411NANANANANA
1853libgromacs_mpi.so.7 - kernel_prune.cpp:115-181 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost1.345.025.0210.0091.5385.541.191.731.731NANANANANA
20153libgromacs_mpi.so.7 - 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]InBetween1.294.834.8310.0084.5243.32.453.669.361NANANANANA
19898libgromacs_mpi.so.7 - pme_gather.cpp:81-360 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost0.792.952.9510.0029.5525.855.454.4717.221NANANANANA
19436libgromacs_mpi.so.7 - 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*...Single0.742.782.7810.0078.5584.21.532.482.781NANANANANA
19485libgromacs_mpi.so.7 - 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*,...Outermost0.582.182.1810.0089.5292.621.472.823.111NANANANANA
17708libgromacs_mpi.so.7 - settle.cpp:423-431 [...]void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const*, true, false>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) [clone .constprop.0]Single0.572.142.1410.0098.8199.851.041.411.411NANANANANA
19705libgromacs_mpi.so.7 - 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>, ...Single0.562.092.0910.0058.7865.711.622.944.171NANANANANA
17373libgromacs_mpi.so.7 - lincs.cpp:282-284gmx::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]Innermost0.451.671.6710.001001001.21.341.341NANANANANA
19899libgromacs_mpi.so.7 - vectypes.h:102-102 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)InBetween0.391.481.4810.0039.7127.393.454.4114.891NANANANANA
20230libgromacs_mpi.so.7 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.361.361.3610.00NANA1NANA1NANANANANA
20180libgromacs_mpi.so.7 - 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]Innermost0.311.161.1610.00012.55.713.2726.121NANANANANA
17368libgromacs_mpi.so.7 - 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])Single0.281.051.0510.0023.5319.121.822.4913.451NANANANANA
19939libgromacs_mpi.so.7 - pme_grid.cpp:303-309 [...]copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)Innermost0.260.970.9710.001001002.53.753.751NANANANANA
20098libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.250.920.9210.00901001.021.381.381NANANANANA
17400libgromacs_mpi.so.7 - lincs.cpp:798-809 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Single0.250.930.9210.0095.761001.091.761.761NANANANANA
1338libgromacs_mpi.so.7 - impl_arm_sve_simd_float.h:83-555 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Single0.240.910.9110.0090.3693.051.121.661.681NANANANANA
1333libgromacs_mpi.so.7 - kernel_outer.h:353-657 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.240.90.910.0070.8172.151.264.456.071NANANANANA
3733libgromacs_mpi.so.7 - 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]Innermost0.240.910.9110.0083.3380.111.252.162.161NANANANANA
1336libgromacs_mpi.so.7 - impl_arm_sve_simd_float.h:83-555 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.240.910.9110.0088.9392.621.121.661.671NANANANANA
1340libgromacs_mpi.so.7 - 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*)Single0.20.740.7410.0099.281001.111.51.51NANANANANA
3738libgromacs_mpi.so.7 - pairlist.cpp:3408-3409PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0]Innermost0.180.690.6810.00015.9112.52.3418.751NANANANANA
1331libgromacs_mpi.so.7 - 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*)Single0.170.630.6310.0095.5695.51.121.551.551NANANANANA
3730libgromacs_mpi.so.7 - pairlist.cpp:3317-3450 [...]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]InBetween0.140.540.5410.00013.416.592.7321.861NANANANANA
19512libgromacs_mpi.so.7 - 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...InBetween0.130.490.4910.0025.9315.742.422.6318.051NANANANANA
17378libgromacs_mpi.so.7 - lincs.cpp:282-284gmx::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]Innermost0.130.470.4710.001001001.21.341.341NANANANANA
19942libgromacs_mpi.so.7 - pme_grid.cpp:402-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.120.430.4310.001001002.53.753.751NANANANANA
17370libgromacs_mpi.so.7 - lincs.cpp:270-287 [...]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]InBetween0.120.430.4310.00016.674.133.1721.111NANANANANA
2614libgromacs_mpi.so.7 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Innermost0.110.410.4110.00012.52.493.1625.291NANANANANA
2597libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...]reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0]Innermost0.10.380.3810.0014.2914.292.052.2915.61NANANANANA
17470libgromacs_mpi.so.7 - md_support.cpp:113-157 [...]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]Outermost0.090.350.3510.0020.6915.091.852.0814.031NANANANANA
19484libgromacs_mpi.so.7 - bonded.cpp:2072-2095 [...]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*,...Innermost0.090.330.3310.00012.94.552.6421.121NANANANANA
3769libgromacs_mpi.so.7 - pairlist_simd_4xm.h:204-260 [...]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]InBetween0.090.330.3310.0044.3548.491.161.82.291NANANANANA
20083libgromacs_mpi.so.7 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.080.310.3110.001001001.015.185.181NANANANANA
17393libgromacs_mpi.so.7 - lincs.cpp:919-930 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.080.30.310.0094.7498.851.081.691.691NANANANANA
17398libgromacs_mpi.so.7 - lincs.cpp:1085-1089 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Outermost0.080.310.3110.0016.6715.633.392.820.331NANANANANA
17908libgromacs_mpi.so.7 - 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...Single0.070.250.2510.001001001.062.082.081NANANANANA
20093libgromacs_mpi.so.7 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.070.270.2710.001001001.574.254.251NANANANANA
20095libgromacs_mpi.so.7 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.060.210.2110.0094.441001.151.771.771NANANANANA
20091libgromacs_mpi.so.7 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.060.220.2210.00012.52.211.8214.591NANANANANA
17710libgromacs_mpi.so.7 - settle.cpp:423-674 [...]void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const*, true, true>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*)Single0.060.210.2110.0099.1599.881.081.511.511NANANANANA
20090libgromacs_mpi.so.7 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.050.180.1810.00012.52.211.8815.061NANANANANA
17867libgromacs_mpi.so.7 - 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]Innermost0.050.170.1710.00NANA1NANA1NANANANANA
20099libgromacs_mpi.so.7 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.050.190.1910.0088.891001.151.771.771NANANANANA
19545libgromacs_mpi.so.7 - 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...Innermost0.050.190.1910.002015.633.742.8721.171NANANANANA
6119libgromacs_mpi.so.7 - pbc.cpp:823-1083 [...]pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)Outermost0.050.190.1910.007.1416.965.056.0919.291NANANANANA
19433libgromacs_mpi.so.7 - cmath:464-464 [...]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]Outermost0.050.190.1910.0029.3120.042.023.0415.231NANANANANA
19487libgromacs_mpi.so.7 - 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*...Innermost0.050.20.210.0082.4686.041.532.923.451NANANANANA
5712libgromacs_mpi.so.7 - 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...Innermost0.050.180.1810.0097.8794.681.933.443.861NANANANANA
19709libgromacs_mpi.so.7 - 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>, ...Innermost0.050.190.1910.0014.5516.592.563.3716.471NANANANANA
3747libgromacs_mpi.so.7 - 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]Innermost0.040.140.1410.00014.5812.8220.081NANANANANA
3732libgromacs_mpi.so.7 - 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]Innermost0.040.150.1510.0071.4342.861.713.713.741NANANANANA
17399libgromacs_mpi.so.7 - lincs.cpp:1087-1089 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.030.10.110.0018.5214.812.182.1114.561NANANANANA
20235libgromacs_mpi.so.7 - fft5d.cpp:880-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.030.10.110.00012.512.217.591NANANANANA
16777libgromacs_mpi.so.7 - calcvir.cpp:61-75 [...]calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])Single0.030.090.0910.00012.891.51.8414.691NANANANANA
3778libgromacs_mpi.so.7 - pairlist.cpp:1305-1413 [...]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]Single0.030.130.1310.00014.0612.3919.111NANANANANA
3746libgromacs_mpi.so.7 - pairlist_simd_4xm.h:61-273 [...]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]InBetween0.030.120.1210.00015.9512.6517.951NANANANANA
20097libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Single0.030.090.0910.00901001.021.381.381NANANANANA
17377libgromacs_mpi.so.7 - lincs.cpp:276-287gmx::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]Outermost0.020.080.0810.00015.183.023.2624.251NANANANANA
1339libgromacs_mpi.so.7 - 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*)Single0.020.070.0710.0097.3795.681.111.641.641NANANANANA
4761libgromacs_mpi.so.7 - ga2la.h:112-114 [...]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:...Single0.020.070.0710.00021.8812.7520.951NANANANANA
16751libgromacs_mpi.so.7 - calc_verletbuf.cpp:530-721 [...]calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)Innermost0.020.060.0610.00015.413.333.0322.231NANANANANA
1854libgromacs_mpi.so.7 - kernel_prune.cpp:76-181 [...]nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)InBetween0.020.070.0710.0030.7741.671.82.983.981NANANANANA
19959libgromacs_mpi.so.7 - pme_grid.cpp:440-442wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.020.060.0610.001001001.93.173.171NANANANANA
17767libgromacs_mpi.so.7 - sim_util.cpp:466-466 [...]setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) [clone .constprop.0]Single0.020.060.0610.0077.4283.063.732.832.831NANANANANA
17910libgromacs_mpi.so.7 - 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...Single0.020.070.0710.0025.71201.492.111.251NANANANANA
3744libgromacs_mpi.so.7 - pairlist.cpp:607-3490 [...]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]InBetween0.020.060.0610.0029.741.383.512.533.131NANANANANA
3768libgromacs_mpi.so.7 - 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]Innermost0.020.080.0810.0066.6740.831.653.413.981NANANANANA
3731libgromacs_mpi.so.7 - stl_vector.h:919-1173 [...]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]InBetween0.020.090.0910.0016.6734.553.593.143.591NANANANANA
2771libgromacs_mpi.so.7 - grid.cpp:415-417Nbnxm::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]Single0.010.020.0210.00NANA1NANA1NANANANANA
19919libgromacs_mpi.so.7 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1]Innermost0.010.040.0410.001001002.53.753.751NANANANANA
19954libgromacs_mpi.so.7 - pme_grid.cpp:453-455wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.030.0310.001001002.113.173.171NANANANANA
3774libgromacs_mpi.so.7 - 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]Single0.010.030.0410.00012.512.4219.331NANANANANA
19513libgromacs_mpi.so.7 - 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...Innermost0.010.030.0410.001013.756.863.3926.561NANANANANA
20085libgromacs_mpi.so.7 - pme_solve.cpp:234-587 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)InBetween0.010.020.0210.0010.9425.053.923.254.51NANANANANA
3748libgromacs_mpi.so.7 - 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]Innermost0.010.030.0310.00012.512.0616.51NANANANANA
3740libgromacs_mpi.so.7 - pairlist.cpp:3317-3340 [...]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]Innermost0.010.030.0310.00012.54.243.0524.381NANANANANA
19948libgromacs_mpi.so.7 - pme_grid.cpp:469-471wrap_periodic_pmegrid(gmx_pme_t const*, float*)Innermost0.010.030.0310.001001001.93.173.171NANANANANA
19542libgromacs_mpi.so.7 - bonded.cpp:2960-3032 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...Innermost0.010.020.0210.0029.4119.129.43322.251NANANANANA
3743libgromacs_mpi.so.7 - pairlist.cpp:3207-3291 [...]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]InBetween0.010.030.0310.00014.063.622.0416.281NANANANANA
20087libgromacs_mpi.so.7 - pme_solve.cpp:486-496solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.050.0510.001001001.332.682.681NANANANANA
19914libgromacs_mpi.so.7 - pme_grid.cpp:520-522unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.0]Innermost0.010.020.0210.001001002.53.753.751NANANANANA
19544libgromacs_mpi.so.7 - 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...InBetween0.010.030.0410.00012.5122.0816.641NANANANANA
19940libgromacs_mpi.so.7 - pme_grid.cpp:395-419 [...]copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Outermost0.010.030.0310.004.5517.617.973.0420.611NANANANANA
3779libgromacs_mpi.so.7 - 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]Innermost0.010.030.0410.00012.511.3911.111NANANANANA
20082libgromacs_mpi.so.7 - pme_solve.cpp:234-587 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.010.050.0510.00015.286.73.0724.561NANANANANA
3656libgromacs_mpi.so.7 - pairlist.cpp:281-285void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)Innermost0.010.020.0210.00012.513.7630.061NANANANANA
3655libgromacs_mpi.so.7 - pairlist.cpp:273-287void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)Outermost0.010.020.0210.00012.515.683.9631.681NANANANANA
3741libgromacs_mpi.so.7 - pairlist.cpp:3207-3238 [...]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]Innermost0.010.020.0210.005.8813.244.372.5319.531NANANANANA
17496libgromacs_mpi.so.7 - mdatoms.cpp:327-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0]Outermost0.010.040.0410.008.8216.184.693.3624.51NANANANANA
4732libgromacs_mpi.so.7 - ga2la.h:112-114 [...]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...Single0.010.030.0310.00012.513.0324.211NANANANANA
19707libgromacs_mpi.so.7 - 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>, ...InBetween0.010.020.0210.0014.2915.183.42.920.741NANANANANA
5710libgromacs_mpi.so.7 - threaded_force_buffer.cpp:170-207 [...]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...Outermost0.010.050.0510.0015.1532.24.266.434.71NANANANANA
3770libgromacs_mpi.so.7 - 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]Outermost0.010.020.0210.00012.511.5121NANANANANA
19640libgromacs_mpi.so.7 - manage_threading.cpp:363-365 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0]Outermost0.010.020.0210.0002512.078.281NANANANANA
18045libgromacs_mpi.so.7 - vcm.cpp:143-215 [...]calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) [clone ._omp_fn.0]Single0.010.020.0210.0021.2815.961.682.1613.351NANANANANA
4726libgromacs_mpi.so.7 - 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...InBetween0.010.030.0310.00019.7912.1216.981NANANANANA
19556libgromacs_mpi.so.7 - bonded.cpp:1825-2325 [...]float (anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*, t_oriresdata*, in...Innermost0.010.030.0310.0013.6414.775.283.1322.181NANANANANA
17394libgromacs_mpi.so.7 - lincs.cpp:1155-1155 [...]gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...Innermost0.010.020.0210.001001001.121.611.611NANANANANA
20089libgromacs_mpi.so.7 - pme_solve.cpp:473-475solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.020.0210.001001001.884.754.751NANANANANA
4728libgromacs_mpi.so.7 - 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...Innermost0.010.020.0210.00018.7511.9713.231NANANANANA
4862libgromacs_mpi.so.7 - ga2la.h:84-88 [...]make_dd_indices(gmx_domdec_t*, int)Innermost0.010.020.0210.00012.512.4519.571NANANANANA
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