Loop id | Source Location | Source Function | Level | Coverage 1x52 (%) | Max Time Over Threads 1x52 (s) | Time w.r.t. Wall Time 1x52 (s) | Nb Threads 1x52 | GFLOPS 1x52 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing 1x52 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect |
---|
764 | libgromacs_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*) | Single | 34.53 | 18.95 | 15.55 | 52 | 0.00 | 97.8 | 98.73 | 1.15 | 1.68 | 1.7 | 1.35 | NA | NA | NA | NA | NA |
759 | libgromacs_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*) | Single | 13.33 | 13.42 | 6 | 52 | 0.00 | 97.16 | 98.8 | 1.15 | 1.71 | 1.73 | 2.49 | NA | NA | NA | NA | NA |
771 | libgromacs_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*) | Single | 5.53 | 2.98 | 2.49 | 52 | 0.00 | 93.33 | 97.91 | 1.14 | 1.66 | 1.71 | 1.33 | NA | NA | NA | NA | NA |
18634 | libgromacs_mpi.so.7 - fft5d.cpp:884-886 | fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | Innermost | 3.76 | 1.87 | 1.69 | 52 | 0.00 | 0 | 25 | 1 | 2.17 | 8.67 | 1.23 | NA | NA | NA | NA | NA |
769 | libgromacs_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*) | Single | 2.25 | 2.43 | 1.01 | 52 | 0.00 | 93.8 | 98.03 | 1.15 | 1.66 | 1.7 | 2.67 | NA | NA | NA | NA | NA |
16654 | libgromacs_mpi.so.7 - pme_spread.cpp:639-641 | .omp_outlined..4#0x933f98 | Single | 2.09 | 1.23 | 0.94 | 52 | 0.00 | 100 | 100 | 1.12 | 3.17 | 3.17 | 1.45 | NA | NA | NA | NA | NA |
765 | libgromacs_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*) | Single | 1.73 | 0.97 | 0.78 | 52 | 0.00 | 92.46 | 91.23 | 1.38 | 2.35 | 2.38 | 1.39 | NA | NA | NA | NA | NA |
18294 | libgromacs_mpi.so.7 - pme_gather.cpp:247-260 [...] | std::enable_if<((4)==(4))||((4)==(5)), gmx::BasicVector<float> >::type do_fspline::operator()<4>(std::integral_constant<int, 4>) const | Single | 1.57 | 1.01 | 0.7 | 52 | 0.00 | 93.62 | 47.87 | 1.72 | 3.61 | 4.44 | 1.6 | NA | NA | NA | NA | NA |
763 | libgromacs_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*) | Single | 1.56 | 1.53 | 0.7 | 52 | 0.00 | 91.34 | 90.52 | 1.39 | 2.37 | 2.44 | 2.43 | NA | NA | NA | NA | NA |
760 | libgromacs_mpi.so.7 - kernel_outer.h:353-639 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Outermost | 1.49 | 1.12 | 0.67 | 52 | 0.00 | 64.71 | 68.63 | 1.18 | 6.48 | 7.36 | 1.87 | NA | NA | NA | NA | NA |
18285 | libgromacs_mpi.so.7 - pme_gather.cpp:81-348 [...] | gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | Outermost | 1.32 | 0.77 | 0.59 | 52 | 0.00 | 10 | 19.58 | 7.03 | 3.19 | 22.91 | 1.43 | NA | NA | NA | NA | NA |
18542 | libgromacs_mpi.so.7 - impl_arm_sve_simd4_float.h:62-242 [...] | .omp_outlined..2 | Innermost | 1.21 | 0.73 | 0.54 | 52 | 0.00 | 90.7 | 52.38 | 1.78 | 3.54 | 4.82 | 1.49 | NA | NA | NA | NA | NA |
18568 | libgromacs_mpi.so.7 - pme_spread.cpp:277-290 [...] | .omp_outlined..2 | Single | 1.13 | 0.73 | 0.51 | 51 | 0.00 | 26.09 | 15.76 | 3.65 | 1.57 | 11.87 | 1.55 | NA | NA | NA | NA | NA |
761 | libgromacs_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*) | Innermost | 0.98 | 0.72 | 0.44 | 49 | 0.00 | 99.04 | 99.18 | 1.11 | 1.46 | 1.47 | 1.71 | NA | NA | NA | NA | NA |
1246 | libgromacs_mpi.so.7 - kernel_prune.cpp:115-167 [...] | nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | Innermost | 0.81 | 0.44 | 0.36 | 52 | 0.00 | 100 | 91.86 | 1.05 | 1.6 | 1.6 | 1.33 | NA | NA | NA | NA | NA |
2336 | libgromacs_mpi.so.7 - kernel_common.cpp:74-76 [...] | clearForceBuffer(nbnxn_atomdata_t*, int) | Single | 0.81 | 0.47 | 0.36 | 52 | 0.00 | 0 | 25 | 1 | 2.19 | 8.76 | 1.42 | NA | NA | NA | NA | NA |
17851 | libgromacs_mpi.so.7 - bonded.cpp:1151-1170 [...] | 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*... | Single | 0.8 | 0.53 | 0.36 | 52 | 0.00 | 87.26 | 88.53 | 1.59 | 2.74 | 2.94 | 1.66 | NA | NA | NA | NA | NA |
16060 | libgromacs_mpi.so.7 - lincs.cpp:417-432 [...] | gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) | Single | 0.65 | 0.41 | 0.29 | 52 | 0.00 | 26.32 | 19.74 | 1.76 | 2.82 | 15.8 | 1.52 | NA | NA | NA | NA | NA |
18537 | libgromacs_mpi.so.7 - pme_spread.cpp:445-447 | .omp_outlined..2 | Innermost | 0.63 | 0.48 | 0.28 | 52 | 0.00 | 100 | 100 | 1.15 | 3.75 | 3.75 | 1.92 | NA | NA | NA | NA | NA |
2136 | libgromacs_mpi.so.7 - atomdata.cpp:1122-1124 [...] | .omp_outlined..27 | Innermost | 0.59 | 0.44 | 0.27 | 49 | 0.00 | 66.67 | 75 | 1.08 | 1.08 | 1.27 | 1.76 | NA | NA | NA | NA | NA |
16056 | libgromacs_mpi.so.7 - lincs.cpp:282-284 | gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) | Innermost | 0.57 | 0.32 | 0.26 | 52 | 0.00 | 100 | 100 | 1.04 | 1.34 | 1.34 | 1.39 | NA | NA | NA | NA | NA |
18120 | libgromacs_mpi.so.7 - pairs.cpp:863-893 [...] | void do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float) | Outermost | 0.55 | 0.32 | 0.25 | 52 | 0.00 | 70.83 | 72.4 | 1.77 | 2.62 | 3.19 | 1.45 | NA | NA | NA | NA | NA |
1956 | libgromacs_mpi.so.7 - pme_spread.cpp:104-145 [...] | .omp_outlined.#0x931c04 | Innermost | 0.52 | 0.35 | 0.23 | 52 | 0.00 | 16.03 | 16.99 | 5.55 | 3.27 | 24.89 | 1.67 | NA | NA | NA | NA | NA |
18630 | libgromacs_mpi.so.7 - fft5d.cpp:947-949 | fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | Innermost | 0.49 | 0.29 | 0.22 | 52 | 0.00 | NA | NA | 1 | NA | NA | 1.45 | NA | NA | NA | NA | NA |
16039 | libgromacs_mpi.so.7 - lincs.cpp:798-810 [...] | .omp_outlined..36 | Single | 0.47 | 0.28 | 0.21 | 52 | 0.00 | 93.94 | 98.48 | 1.59 | 2.23 | 2.23 | 1.47 | NA | NA | NA | NA | NA |
16428 | libgromacs_mpi.so.7 - impl_arm_sve_util_float.h:218-230 [...] | .omp_outlined..19#0x889adc | Outermost | 0.35 | 0.25 | 0.16 | 52 | 0.00 | 91.17 | 91.33 | 1.55 | 3.07 | 3.07 | 1.79 | NA | NA | NA | NA | NA |
17860 | libgromacs_mpi.so.7 - 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*,... | Single | 0.33 | 0.24 | 0.15 | 52 | 0.00 | 44.44 | 53.52 | 3.23 | 2.63 | 3.12 | 1.85 | NA | NA | NA | NA | NA |
2337 | libgromacs_mpi.so.7 - kernel_common.cpp:56-56 | clearForceBuffer(nbnxn_atomdata_t*, int) | Single | 0.33 | 0.22 | 0.15 | 52 | 0.00 | 100 | 100 | 1.14 | 2 | 2 | 1.69 | NA | NA | NA | NA | NA |
18316 | libgromacs_mpi.so.7 - pme_grid.cpp:402-404 | copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | Innermost | 0.32 | 0.21 | 0.15 | 52 | 0.00 | 100 | 100 | 1.15 | 3.75 | 3.75 | 1.62 | NA | NA | NA | NA | NA |
772 | libgromacs_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*) | Single | 0.28 | 0.2 | 0.13 | 52 | 0.00 | 89.85 | 92.65 | 1.42 | 2.37 | 2.4 | 1.67 | NA | NA | NA | NA | NA |
2133 | libgromacs_mpi.so.7 - atomdata.cpp:1207-1209 [...] | .omp_outlined..27 | Innermost | 0.28 | 0.18 | 0.13 | 52 | 0.00 | 25 | 28.13 | 2.25 | 1.8 | 12 | 1.64 | NA | NA | NA | NA | NA |
18545 | libgromacs_mpi.so.7 - pme_spread.cpp:353-353 | .omp_outlined..2 | Single | 0.27 | 0.19 | 0.12 | 52 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1.73 | NA | NA | NA | NA | NA |
770 | libgromacs_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*) | Single | 0.26 | 0.29 | 0.12 | 52 | 0.00 | 90.67 | 91.88 | 1.42 | 2.39 | 2.42 | 2.9 | NA | NA | NA | NA | NA |
4891 | libgromacs_mpi.so.7 - threaded_force_buffer.cpp:209-211 [...] | .omp_outlined..17 | Innermost | 0.25 | 0.2 | 0.11 | 52 | 0.00 | 16.67 | 20.83 | 1.65 | 2.26 | 10.24 | 2 | NA | NA | NA | NA | NA |
16038 | libgromacs_mpi.so.7 - lincs.cpp:1087-1089 [...] | .omp_outlined..36 | Innermost | 0.24 | 0.17 | 0.11 | 52 | 0.00 | 12.5 | 15.63 | 1.64 | 2.18 | 15.58 | 1.7 | NA | NA | NA | NA | NA |
3305 | libgromacs_mpi.so.7 - pairlist_simd_4xm.h:136-193 [...] | .omp_outlined..8 | Single | 0.23 | 0.14 | 0.1 | 52 | 0.00 | 69.18 | 60.41 | 1.24 | 2.44 | 2.43 | 1.56 | NA | NA | NA | NA | NA |
18460 | libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...] | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.19 | 0.14 | 0.08 | 52 | 0.00 | 93.33 | 97.5 | 1.08 | 1.47 | 1.47 | 1.75 | NA | NA | NA | NA | NA |
3263 | libgromacs_mpi.so.7 - pairlist.cpp:3407-3409 [...] | .omp_outlined..8 | Innermost | 0.19 | 0.12 | 0.09 | 52 | 0.00 | 0 | 12.5 | 1.94 | 2.86 | 22.89 | 1.5 | NA | NA | NA | NA | NA |
16035 | libgromacs_mpi.so.7 - lincs.cpp:919-931 [...] | .omp_outlined..36 | Innermost | 0.18 | 0.16 | 0.08 | 52 | 0.00 | 89.74 | 89.34 | 1.83 | 2.87 | 2.87 | 2.29 | NA | NA | NA | NA | NA |
16054 | libgromacs_mpi.so.7 - 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>) | InBetween | 0.18 | 0.12 | 0.08 | 52 | 0.00 | 0 | 18.84 | 3.85 | 2.7 | 17.08 | 1.71 | NA | NA | NA | NA | NA |
766 | libgromacs_mpi.so.7 - kernel_outer.h:353-648 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Outermost | 0.18 | 0.16 | 0.08 | 52 | 0.00 | 65.46 | 64.96 | 1.21 | 5.88 | 6.97 | 2.29 | NA | NA | NA | NA | NA |
4965 | libgromacs_mpi.so.7 - stl_algobase.h:924-924 | gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies() | Innermost | 0.17 | 0.16 | 0.08 | 52 | 0.00 | 100 | 100 | 1 | 1 | 1 | 2.29 | NA | NA | NA | NA | NA |
18118 | libgromacs_mpi.so.7 - vec.h:141-634 [...] | 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>, ... | Single | 0.17 | 0.13 | 0.07 | 52 | 0.00 | 25.58 | 19.33 | 2.53 | 4.39 | 20.65 | 1.86 | NA | NA | NA | NA | NA |
2124 | libgromacs_mpi.so.7 - atomdata.cpp:1173-1179 [...] | .omp_outlined..25 | Innermost | 0.16 | 0.11 | 0.07 | 52 | 0.00 | 9.09 | 14.77 | 1.62 | 2 | 14.48 | 1.57 | NA | NA | NA | NA | NA |
3255 | libgromacs_mpi.so.7 - pairlist.cpp:914-3450 [...] | .omp_outlined..8 | InBetween | 0.16 | 0.11 | 0.07 | 52 | 0.00 | 4.35 | 21.42 | 11.02 | 2.85 | 3.91 | 1.57 | NA | NA | NA | NA | NA |
1893 | libgromacs_mpi.so.7 - atomdata.cpp:226-233 | copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | Single | 0.15 | 0.17 | 0.07 | 35 | 0.00 | 0 | 13.89 | 2.08 | 2.5 | 20 | 1.89 | NA | NA | NA | NA | NA |
16516 | libgromacs_mpi.so.7 - update.cpp:1638-1641 [...] | .omp_outlined..14 | Single | 0.14 | 0.1 | 0.06 | 52 | 0.00 | 0 | 12.5 | 1 | 1.96 | 15.67 | 1.67 | NA | NA | NA | NA | NA |
767 | libgromacs_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*) | Innermost | 0.13 | 0.12 | 0.06 | 50 | 0.00 | 98.55 | 98.68 | 1.12 | 1.5 | 1.52 | 2 | NA | NA | NA | NA | NA |
16429 | libgromacs_mpi.so.7 - impl_arm_sve_util_float.h:218-218 | .omp_outlined..19#0x889adc | Innermost | 0.13 | 0.1 | 0.06 | 52 | 0.00 | 100 | 100 | 1.13 | 2.25 | 2.25 | 2 | NA | NA | NA | NA | NA |
2131 | libgromacs_mpi.so.7 - atomdata.cpp:1109-1111 [...] | .omp_outlined..27 | Innermost | 0.11 | 0.38 | 0.05 | 21 | 0.00 | 66.67 | 75 | 1.08 | 1.08 | 1.27 | 3.45 | NA | NA | NA | NA | NA |
1958 | libgromacs_mpi.so.7 - pme_spread.cpp:172-174 | .omp_outlined.#0x931c04 | Innermost | 0.11 | 0.09 | 0.05 | 52 | 0.00 | 0 | 18.75 | 1 | 2.44 | 17.33 | 1.8 | NA | NA | NA | NA | NA |
17926 | libgromacs_mpi.so.7 - 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... | Single | 0.11 | 0.07 | 0.05 | 52 | 0.00 | 46.99 | 23.19 | 2.21 | 3.7 | 15.11 | 1.75 | NA | NA | NA | NA | NA |
1987 | libgromacs_mpi.so.7 - md_support.cpp:113-155 [...] | .omp_outlined.#0x867d00 | Outermost | 0.11 | 0.07 | 0.05 | 52 | 0.00 | 28.57 | 16.52 | 2.41 | 2.23 | 14.82 | 1.75 | NA | NA | NA | NA | NA |
762 | libgromacs_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*) | Innermost | 0.1 | 0.09 | 0.04 | 48 | 0.00 | 97.44 | 96.29 | 1.12 | 1.55 | 1.57 | 2.25 | NA | NA | NA | NA | NA |
18575 | libgromacs_mpi.so.7 - pme_spread.cpp:197-199 | .omp_outlined..2 | Innermost | 0.09 | 0.1 | 0.04 | 51 | 0.00 | 100 | 100 | 1.15 | 3.75 | 3.75 | 2.5 | NA | NA | NA | NA | NA |
17837 | libgromacs_mpi.so.7 - vec.h:335-443 [...] | dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | Single | 0.09 | 0.08 | 0.04 | 52 | 0.00 | 23.08 | 21.15 | 3.7 | 4.87 | 20.56 | 2.67 | NA | NA | NA | NA | NA |
4890 | libgromacs_mpi.so.7 - threaded_force_buffer.cpp:171-211 [...] | .omp_outlined..17 | Outermost | 0.08 | 0.06 | 0.04 | 52 | 0.00 | 25 | 23.44 | 7.5 | 2.6 | 20 | 2 | NA | NA | NA | NA | NA |
18465 | libgromacs_mpi.so.7 - pme_solve.cpp:499-511 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Single | 0.08 | 0.07 | 0.03 | 52 | 0.00 | 100 | 100 | 1.01 | 4.86 | 4.86 | 2.33 | NA | NA | NA | NA | NA |
2135 | libgromacs_mpi.so.7 - atomdata.cpp:1119-1124 [...] | .omp_outlined..27 | Outermost | 0.08 | 0.09 | 0.03 | 48 | 0.00 | 53.33 | 63.75 | 2.65 | 2.73 | 2.73 | 3 | NA | NA | NA | NA | NA |
3304 | libgromacs_mpi.so.7 - pairlist_simd_4xm.h:204-258 [...] | .omp_outlined..8 | Single | 0.08 | 0.05 | 0.04 | 52 | 0.00 | 72.99 | 62.14 | 1.21 | 2.4 | 2.37 | 1.67 | NA | NA | NA | NA | NA |
16427 | libgromacs_mpi.so.7 - update.cpp:361-387 [...] | .omp_outlined..19#0x889adc | Single | 0.08 | 0.07 | 0.04 | 52 | 0.00 | 73.81 | 79.84 | 1.15 | 3.71 | 4.2 | 2.33 | NA | NA | NA | NA | NA |
18457 | libgromacs_mpi.so.7 - pme_solve.cpp:98-561 [...] | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Outermost | 0.07 | 0.06 | 0.03 | 52 | 0.00 | 16.28 | 30.81 | 5 | 2.45 | 3.15 | 2 | NA | NA | NA | NA | NA |
16037 | libgromacs_mpi.so.7 - lincs.cpp:1085-1089 [...] | .omp_outlined..36 | Outermost | 0.06 | 0.07 | 0.03 | 52 | 0.00 | 0 | 23.75 | 1 | 1.67 | 7.86 | 3.5 | NA | NA | NA | NA | NA |
18573 | libgromacs_mpi.so.7 - pme_spread.cpp:188-199 [...] | .omp_outlined..2 | Outermost | 0.06 | 0.05 | 0.03 | 51 | 0.00 | 0 | 24.17 | 1 | 2.89 | 13.87 | 1.67 | NA | NA | NA | NA | NA |
18001 | libgromacs_mpi.so.7 - functions.h:164-164 [...] | 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) | Single | 0.05 | 0.04 | 0.02 | 52 | 0.00 | 39.44 | 24.82 | 2.23 | 3.15 | 13.02 | 2 | NA | NA | NA | NA | NA |
15391 | libgromacs_mpi.so.7 - pme_grid.cpp:537-539 | .omp_outlined..3#0x923ef8 | Innermost | 0.05 | 0.06 | 0.02 | 52 | 0.00 | 100 | 100 | 1.15 | 3.75 | 3.75 | 3 | NA | NA | NA | NA | NA |
18472 | libgromacs_mpi.so.7 - pme_solve.cpp:522-531 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Single | 0.05 | 0.04 | 0.02 | 50 | 0.00 | 95 | 95.63 | 1.13 | 1.76 | 1.76 | 2 | NA | NA | NA | NA | NA |
18459 | libgromacs_mpi.so.7 - pme_solve.cpp:555-561 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.05 | 0.05 | 0.02 | 52 | 0.00 | 100 | 100 | 1.13 | 4.33 | 4.33 | 2.5 | NA | NA | NA | NA | NA |
4892 | libgromacs_mpi.so.7 - threaded_force_buffer.cpp:207-211 [...] | .omp_outlined..17 | InBetween | 0.05 | 0.07 | 0.02 | 48 | 0.00 | 0 | 21.88 | 3.07 | 2.19 | 13.63 | 3.5 | NA | NA | NA | NA | NA |
18463 | libgromacs_mpi.so.7 - pme_solve.cpp:534-543 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Single | 0.05 | 0.06 | 0.02 | 52 | 0.00 | 95 | 95.63 | 1.13 | 1.76 | 1.76 | 3 | NA | NA | NA | NA | NA |
1983 | libgromacs_mpi.so.7 - sim_util.cpp:474-474 [...] | .omp_outlined.#0x8838b0 | Single | 0.05 | 0.06 | 0.02 | 51 | 0.00 | 0 | 25 | 1 | 2.67 | 10.67 | 3 | NA | NA | NA | NA | NA |
18539 | libgromacs_mpi.so.7 - pme_spread.cpp:441-447 | .omp_outlined..2 | InBetween | 0.04 | 0.03 | 0.02 | 52 | 0.00 | 7.5 | 22.3 | 1.82 | 2.1 | 11.44 | 1.5 | NA | NA | NA | NA | NA |
17862 | libgromacs_mpi.so.7 - 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*... | Outermost | 0.04 | 0.07 | 0.02 | 32 | 0.00 | 50.48 | 55.63 | 2.72 | 2.99 | 3.91 | 2.33 | NA | NA | NA | NA | NA |
15401 | libgromacs_mpi.so.7 - calcvir.cpp:61-67 [...] | calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) [clone .1] [clone .extracted] | Single | 0.03 | 0.03 | 0.01 | 47 | 0.00 | 0 | 12.95 | 1.22 | 1.73 | 13.82 | 3 | NA | NA | NA | NA | NA |
17936 | libgromacs_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... | Innermost | 0.03 | 0.03 | 0.01 | 48 | 0.00 | 25 | 21.25 | 3.4 | 2.65 | 16.63 | 3 | NA | NA | NA | NA | NA |
16332 | libgromacs_mpi.so.7 - settle.cpp:515-518 [...] | void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | Single | 0.03 | 0.04 | 0.01 | 50 | 0.00 | 83.33 | 85.42 | 1.13 | 1.8 | 1.8 | 4 | NA | NA | NA | NA | NA |
16660 | libgromacs_mpi.so.7 - pme_spread.cpp:633-641 | .omp_outlined..4#0x933f98 | Outermost | 0.03 | 0.03 | 0.01 | 45 | 0.00 | 0 | 24.34 | 1 | 2.07 | 9.46 | 3 | NA | NA | NA | NA | NA |
3298 | libgromacs_mpi.so.7 - stl_vector.h:1189-1194 [...] | .omp_outlined..8 | Innermost | 0.03 | 0.03 | 0.01 | 46 | 0.00 | 0 | 14.29 | 1 | 1.96 | 14.93 | 3 | NA | NA | NA | NA | NA |
16329 | libgromacs_mpi.so.7 - settle.cpp:469-471 [...] | void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | Single | 0.03 | 0.04 | 0.01 | 50 | 0.00 | 75 | 81.25 | 1.61 | 3.22 | 3.22 | 4 | NA | NA | NA | NA | NA |
3264 | libgromacs_mpi.so.7 - pairlist.cpp:3392-3396 [...] | .omp_outlined..8 | Innermost | 0.03 | 0.03 | 0.01 | 43 | 0.00 | 0 | 20.83 | 1.94 | 2.86 | 20.9 | 3 | NA | NA | NA | NA | NA |
4964 | libgromacs_mpi.so.7 - stl_algobase.h:923-924 [...] | gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies() | Outermost | 0.03 | 0.04 | 0.01 | 46 | 0.00 | 0 | 20.31 | 1.42 | 2.09 | 15.49 | 4 | NA | NA | NA | NA | NA |
16319 | libgromacs_mpi.so.7 - settle.cpp:601-604 [...] | void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | Single | 0.02 | 0.02 | 0.01 | 46 | 0.00 | 77.78 | 83.33 | 1.6 | 2.23 | 2.23 | 2 | NA | NA | NA | NA | NA |
1975 | libgromacs_mpi.so.7 - utilities.h:57-57 [...] | .omp_outlined.#0x90e7b0 | Single | 0.02 | 0.02 | 0.01 | 38 | 0.00 | 0 | 22.22 | 1 | 2.51 | 20.11 | 2 | NA | NA | NA | NA | NA |
16656 | libgromacs_mpi.so.7 - pme_spread.cpp:538-700 [...] | .omp_outlined..4#0x933f98 | Outermost | 0.02 | 0.02 | 0.01 | 35 | 0.00 | 0 | 12.5 | 1 | 2 | 16 | 2 | NA | NA | NA | NA | NA |
18468 | libgromacs_mpi.so.7 - pme_solve.cpp:234-234 [...] | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Single | 0.02 | 0.02 | 0.01 | 42 | 0.00 | 93.33 | 97.5 | 1.08 | 1.47 | 1.47 | 2 | NA | NA | NA | NA | NA |
4893 | libgromacs_mpi.so.7 - threaded_force_buffer.cpp:200-202 [...] | .omp_outlined..17 | Innermost | 0.02 | 0.07 | 0.01 | 26 | 0.00 | 12.5 | 20.31 | 1.29 | 1.83 | 9.26 | 3.5 | NA | NA | NA | NA | NA |
18073 | libgromacs_mpi.so.7 - manage_threading.cpp:127-162 [...] | setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) | InBetween | 0.02 | 0.4 | 0.01 | 1 | 0.00 | 0 | 14.58 | 1 | 2.41 | 18.57 | 1 | NA | NA | NA | NA | NA |
3292 | libgromacs_mpi.so.7 - pairlist.cpp:607-1413 [...] | .omp_outlined..8 | Outermost | 0.02 | 0.02 | 0.01 | 46 | 0.00 | 0 | 15.63 | 1 | 2.06 | 16.5 | 2 | NA | NA | NA | NA | NA |
3293 | libgromacs_mpi.so.7 - pairlist.cpp:607-1322 [...] | .omp_outlined..8 | Innermost | 0.02 | 0.03 | 0.01 | 30 | 0.00 | 0 | 12.5 | 1 | 1.02 | 8.17 | 3 | NA | NA | NA | NA | NA |
2130 | libgromacs_mpi.so.7 - atomdata.cpp:1104-1223 [...] | .omp_outlined..27 | Outermost | 0.02 | 0.02 | 0.01 | 42 | 0.00 | 11.11 | 25 | 4.57 | 2.92 | 18.67 | 2 | NA | NA | NA | NA | NA |
3343 | libgromacs_mpi.so.7 - pairlist.cpp:3624-3624 [...] | .omp_outlined..38 | InBetween | 0.02 | 0.04 | 0.01 | 42 | 0.00 | 0 | 22.66 | 1 | 2.76 | 16.74 | 4 | NA | NA | NA | NA | NA |
768 | libgromacs_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*) | Innermost | 0.02 | 0.02 | 0.01 | 37 | 0.00 | 97.11 | 96.05 | 1.21 | 1.72 | 1.74 | 2 | NA | NA | NA | NA | NA |
1245 | libgromacs_mpi.so.7 - kernel_prune.cpp:76-176 [...] | nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | Outermost | 0.02 | 0.02 | 0.01 | 42 | 0.00 | 32.8 | 41.54 | 2.17 | 2.82 | 3.97 | 2 | NA | NA | NA | NA | NA |
4143 | libgromacs_mpi.so.7 - localtopology.cpp:505-513 [...] | 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... | Single | 0.02 | 0.03 | 0.01 | 31 | 0.00 | 47.62 | 62.35 | 1.02 | 3.18 | 6.78 | 3 | NA | NA | NA | NA | NA |
18119 | libgromacs_mpi.so.7 - pbc_simd.h:119-121 [...] | void do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float) | Innermost | 0.01 | 0.02 | 0 | 27 | 0.00 | 66.67 | 75 | 1.92 | 2.56 | 2.56 | 2 | NA | NA | NA | NA | NA |
3271 | libgromacs_mpi.so.7 - pairlist.cpp:1991-1995 [...] | .omp_outlined..8 | Single | 0.01 | 0.02 | 0 | 30 | 0.00 | 0 | 21.88 | 1 | 1.67 | 8.65 | 2 | NA | NA | NA | NA | NA |
16440 | libgromacs_mpi.so.7 - sim_util.cpp:150-152 [...] | .omp_outlined..19 | Single | 0.01 | 0.02 | 0.01 | 34 | 0.00 | 11.11 | 19.44 | 1.79 | 2.18 | 10.61 | 2 | NA | NA | NA | NA | NA |
1973 | libgromacs_mpi.so.7 - manage_threading.cpp:365-367 [...] | .omp_outlined.#0x90f7e8 | Innermost | 0.01 | 0.01 | 0 | 22 | 0.00 | 0 | 25 | 1 | 2.17 | 8.67 | 1 | NA | NA | NA | NA | NA |
3260 | libgromacs_mpi.so.7 - pairlist.cpp:3008-3008 [...] | .omp_outlined..8 | Innermost | 0.01 | 0.02 | 0 | 18 | 0.00 | 0 | 12.5 | 1 | 2.08 | 16.67 | 2 | NA | NA | NA | NA | NA |
4131 | libgromacs_mpi.so.7 - hashedmap.h:274-282 [...] | 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:... | InBetween | 0.01 | 0.01 | 0 | 23 | 0.00 | 0 | 20.83 | 1 | 2.58 | 19.85 | 1 | NA | NA | NA | NA | NA |
16657 | libgromacs_mpi.so.7 - pme_spread.cpp:538-683 [...] | .omp_outlined..4#0x933f98 | InBetween | 0.01 | 0.01 | 0 | 18 | 0.00 | 0 | 12.5 | 1 | 2.64 | 21.1 | 1 | NA | NA | NA | NA | NA |
1966 | libgromacs_mpi.so.7 - pme_grid.cpp:520-522 | .omp_outlined.#0x923d34 | Innermost | 0.01 | 0.02 | 0 | 25 | 0.00 | 100 | 100 | 1.15 | 3.75 | 3.75 | 2 | NA | NA | NA | NA | NA |
16328 | libgromacs_mpi.so.7 - pbc_simd.h:119-121 [...] | void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | Single | 0.01 | 0.02 | 0 | 17 | 0.00 | 66.67 | 75 | 1.92 | 2.56 | 2.56 | 2 | NA | NA | NA | NA | NA |
3254 | libgromacs_mpi.so.7 - pairlist.cpp:914-3450 [...] | .omp_outlined..8 | InBetween | 0.01 | 0.02 | 0.01 | 36 | 0.00 | 0 | 13.39 | 5.91 | 3.29 | 25.67 | 2 | NA | NA | NA | NA | NA |
4971 | libgromacs_mpi.so.7 - threaded_force_buffer.cpp:278-280 [...] | gmx::ThreadedForceBuffer<float [4]>::setupReduction() | Innermost | 0.01 | 0.22 | 0 | 1 | 0.00 | 0 | 25 | 1 | 2.55 | 10.2 | 1 | NA | NA | NA | NA | NA |
3337 | libgromacs_mpi.so.7 - stl_vector.h:346-1762 [...] | .omp_outlined..38 | InBetween | 0.01 | 0.02 | 0.01 | 28 | 0.00 | 0 | 18.75 | 1 | 1.9 | 15.18 | 2 | NA | NA | NA | NA | NA |
3246 | libgromacs_mpi.so.7 - pairlist.cpp:244-3490 [...] | .omp_outlined..8 | InBetween | 0.01 | 0.01 | 0.01 | 41 | 0.00 | 22.29 | 31.33 | 4.05 | 6.29 | 4.13 | 1 | NA | NA | NA | NA | NA |
18473 | libgromacs_mpi.so.7 - pme_solve.cpp:441-454 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Single | 0.01 | 0.02 | 0.01 | 30 | 0.00 | 95.83 | 96.35 | 1.11 | 2 | 2 | 2 | NA | NA | NA | NA | NA |
3245 | libgromacs_mpi.so.7 - pairlist.cpp:244-3252 [...] | .omp_outlined..8 | InBetween | 0.01 | 0.02 | 0 | 24 | 0.00 | 8.33 | 16.15 | 3.74 | 2.98 | 19.73 | 2 | NA | NA | NA | NA | NA |
18242 | libgromacs_mpi.so.7 - wallcycle.h:226-268 [...] | .omp_outlined..49 | Single | 0.01 | 0.02 | 0 | 15 | 0.00 | 0 | 15 | 3.55 | 2.3 | 17.43 | 2 | NA | NA | NA | NA | NA |
17935 | libgromacs_mpi.so.7 - bonded.cpp:1913-2011 [...] | std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa... | Outermost | 0.01 | 0.01 | 0 | 29 | 0.00 | 4 | 22.5 | 4.03 | 2.92 | 16.22 | 1 | NA | NA | NA | NA | NA |
3285 | libgromacs_mpi.so.7 - pairlist.cpp:607-1420 [...] | .omp_outlined..8 | Outermost | 0.01 | 0.03 | 0 | 17 | 0.00 | 0 | 14.58 | 1 | 2.57 | 19.41 | 3 | NA | NA | NA | NA | NA |
18467 | libgromacs_mpi.so.7 - pme_solve.cpp:457-470 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Single | 0.01 | 0.02 | 0 | 26 | 0.00 | 95.83 | 96.35 | 1.11 | 2 | 2 | 2 | NA | NA | NA | NA | NA |
3268 | libgromacs_mpi.so.7 - pairlist.cpp:281-282 [...] | .omp_outlined..8 | Innermost | 0.01 | 0.01 | 0 | 22 | 0.00 | 0 | 12.5 | 1.55 | 3.44 | 27.56 | 1 | NA | NA | NA | NA | NA |
2064 | libgromacs_mpi.so.7 - redistribute.cpp:74-428 [...] | .omp_outlined.#0x5113b8 | Outermost | 0.01 | 0.02 | 0 | 20 | 0.00 | 12.24 | 18.11 | 2.41 | 3.2 | 21.83 | 2 | NA | NA | NA | NA | NA |
17865 | libgromacs_mpi.so.7 - functions.h:0-0 [...] | 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... | Single | 0.01 | 0.04 | 0.01 | 22 | 0.00 | 10 | 19.58 | 8.18 | 3.3 | 23.31 | 4 | NA | NA | NA | NA | NA |
16036 | libgromacs_mpi.so.7 - lincs.cpp:1098-1098 [...] | .omp_outlined..36 | Single | 0.01 | 0.01 | 0 | 23 | 0.00 | 66.67 | 75 | 1.7 | 2.56 | 2.56 | 1 | NA | NA | NA | NA | NA |
16029 | libgromacs_mpi.so.7 - lincs.cpp:1215-1223 | .omp_outlined..36 | Single | 0.01 | 0.02 | 0 | 30 | 0.00 | 4.55 | 13.64 | 1.55 | 1.89 | 15.08 | 2 | NA | NA | NA | NA | NA |
3248 | libgromacs_mpi.so.7 - pairlist.cpp:1981-1985 [...] | .omp_outlined..8 | Innermost | 0.01 | 0.02 | 0 | 29 | 0.00 | 0 | 21.88 | 1 | 1.67 | 8.65 | 2 | NA | NA | NA | NA | NA |
18464 | libgromacs_mpi.so.7 - pme_solve.cpp:486-496 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Single | 0.01 | 0.01 | 0 | 28 | 0.00 | 100 | 100 | 1.09 | 2.38 | 2.38 | 1 | NA | NA | NA | NA | NA |
16034 | libgromacs_mpi.so.7 - lincs.cpp:1155-1155 [...] | .omp_outlined..36 | Innermost | 0.01 | 0.01 | 0.01 | 30 | 0.00 | 77.78 | 83.33 | 1.49 | 2.23 | 2.23 | 1 | NA | NA | NA | NA | NA |
16330 | libgromacs_mpi.so.7 - settle.cpp:474-476 [...] | void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | Single | 0.01 | 0.02 | 0 | 25 | 0.00 | 66.67 | 75 | 1.92 | 2.56 | 2.56 | 2 | NA | NA | NA | NA | NA |
2132 | libgromacs_mpi.so.7 - atomdata.cpp:1106-1111 [...] | .omp_outlined..27 | InBetween | 0.01 | 0.02 | 0 | 17 | 0.00 | 50 | 62.5 | 1.79 | 2.27 | 2.83 | 2 | NA | NA | NA | NA | NA |
18628 | libgromacs_mpi.so.7 - fft5d.cpp:939-949 | fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | InBetween | 0.01 | 0.01 | 0 | 18 | 0.00 | 0 | 20.14 | 1 | 2.3 | 13.08 | 1 | NA | NA | NA | NA | NA |
1985 | libgromacs_mpi.so.7 - mdatoms.cpp:327-495 [...] | .omp_outlined.#0x869790 | Outermost | 0.01 | 0.01 | 0 | 28 | 0.00 | 6.9 | 16.38 | 4.48 | 3.16 | 24.08 | 1 | NA | NA | NA | NA | NA |
16321 | libgromacs_mpi.so.7 - settle.cpp:613-616 [...] | void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | Single | 0.01 | 0.01 | 0 | 24 | 0.00 | 77.78 | 83.33 | 1.6 | 2.23 | 2.23 | 1 | NA | NA | NA | NA | NA |
2282 | libgromacs_mpi.so.7 - grid.cpp:415-417 | Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .23] [clone .extracted] | Single | 0.01 | 0.01 | 0 | 16 | 0.00 | 0 | 25 | 1 | 1.92 | 7.67 | 1 | NA | NA | NA | NA | NA |
1952 | libgromacs_mpi.so.7 - pme_spread.cpp:75-923 [...] | .omp_outlined.#0x931c04 | InBetween | 0.01 | 0.02 | 0 | 20 | 0.00 | 0 | 15.74 | 11.41 | 2.77 | 22.12 | 2 | NA | NA | NA | NA | NA |
2100 | libgromacs_mpi.so.7 - kerneldispatch.cpp:266-322 [...] | .omp_outlined.#0x46c854 | Single | 0.01 | 0.01 | 0 | 21 | 0.00 | 0 | 19.23 | 1 | 2.8 | 22.38 | 1 | NA | NA | NA | NA | NA |
3366 | libgromacs_mpi.so.7 - vector.tcc:911-912 | std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>... | Single | 0.01 | 0.01 | 0 | 15 | 0.00 | 100 | 50 | 1.43 | 1.67 | 3.33 | 1 | NA | NA | NA | NA | NA |
3269 | libgromacs_mpi.so.7 - pairlist.cpp:272-276 [...] | .omp_outlined..8 | Innermost | 0.01 | 0.02 | 0 | 17 | 0.00 | 0 | 12.5 | 4.67 | 3.73 | 29.87 | 2 | NA | NA | NA | NA | NA |
18070 | libgromacs_mpi.so.7 - manage_threading.cpp:144-146 | setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) | Innermost | 0.01 | 0.29 | 0.01 | 1 | 0.00 | 0 | 12.5 | 1 | 2.33 | 18.67 | 1 | NA | NA | NA | NA | NA |
18635 | libgromacs_mpi.so.7 - fft5d.cpp:854-886 [...] | fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | Outermost | 0.01 | 0.01 | 0.01 | 32 | 0.00 | 0 | 22.92 | 1 | 2.03 | 10.22 | 1 | NA | NA | NA | NA | NA |
15393 | libgromacs_mpi.so.7 - pme_grid.cpp:535-539 | .omp_outlined..3#0x923ef8 | InBetween | 0.01 | 0.02 | 0 | 20 | 0.00 | 7.04 | 18.75 | 1.86 | 2.85 | 16.97 | 2 | NA | NA | NA | NA | NA |