options

Loops Index

133 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 run_0 (%) Max Time Over Threads run_0 (s) Time w.r.t. Wall Time run_0 (s) Nb Threads run_0 GFLOPS run_0 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing run_0 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect
Loop idSource LocationSource FunctionLevelCoverage run_0 (%)Max Time Over Threads run_0 (s)Time w.r.t. Wall Time run_0 (s)Nb Threads run_0GFLOPS run_0Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing run_0Stride 0Stride 1Stride nStride UnknownStride Indirect
987libgromacs_mpi.so.7.0.0 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost16.842.682.28522158.4210094.931111.3520122
985libgromacs_mpi.so.7.0.0 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost6.2620.85522262.0310095.281112.720122
21809libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost3.660.540.5520.00012.51181.2600030
994libgromacs_mpi.so.7.0.0 - kernel_outer.h:547-547 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost2.470.40.33522535.2810096.671111.3820122
21402libgromacs_mpi.so.7.0.0 - pme_gather.cpp:76-348 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Outermost1.820.360.2552631.3254.140.162.231.061.361.71NANANANANA
2124libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:166-459 [...]void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)Innermost1.680.310.23520.0006.2511161.5501000
21401libgromacs_mpi.so.7.0.0 - impl_x86_avx_512_util_float.h:493-493 [...]gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)Innermost1.670.290.2352350.0091.6785.94111.041.4502010
21742libgromacs_mpi.so.7.0.0 - pme_spread.cpp:639-641_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)Innermost1.50.250.2521.9006.251.171.75161.3902000
21746libgromacs_mpi.so.7.0.0 - pme_spread.cpp:277-292 [...]_INTERNALae0e43be::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)Outermost1.450.260.252178.3518.189.641.111.0711.981.53NANANANANA
21753libgromacs_mpi.so.7.0.0 - pme_spread.cpp:331-400 [...]_INTERNALae0e43be::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)Outermost1.410.270.1952199.7455.6718.812.21.69.111.59NANANANANA
18653libgromacs_mpi.so.7.0.0 - lincs.cpp:276-287 [...]_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<float>, _INTERNAL1bba7552::gmx::Array...InBetween1.260.190.1752292.824039.292.491.011.271.27NANANANANA
992libgromacs_mpi.so.7.0.0 - kernel_outer.h:565-565 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost1.050.340.14522396.5710097.021112.8320122
21741libgromacs_mpi.so.7.0.0 - pme_spread.cpp:524-641 [...]_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween0.90.160.12527.6716.1322.983.3411.241.45NANANANANA
21717libgromacs_mpi.so.7.0.0 - pme_spread.cpp:445-447L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_2Single0.840.140.11520.0006.2511161.402000
18661libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNAL1bba7552::gmx::lincs_update_atoms_ind(_INTERNAL1bba7552::gmx::ArrayRef<int const>, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552:...Single0.840.190.115234.4506.51.181.615.561.901070
18654libgromacs_mpi.so.7.0.0 - lincs.cpp:282-284_INTERNAL1bba7552::gmx::lincs_matrix_expand(_INTERNAL1bba7552::gmx::Lincs const&, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ArrayRef<float const>, _INTERNAL1bba7552::gmx::ArrayRef<float>, _INTERNAL1bba7552::gmx::Array...Innermost0.80.20.1152180.551001001112.2202001
988libgromacs_mpi.so.7.0.0 - kernel_outer.h:541-544 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.780.170.11521489.4697.6893.061.01111.8931032
1594libgromacs_mpi.so.7.0.0 - atomdata.cpp:1122-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51Innermost0.650.170.094826.671001001112.1301001
986libgromacs_mpi.so.7.0.0 - kernel_outer.h:559-562 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.60.180.08522130.0098.4941.01112.5730132
982libgromacs_mpi.so.7.0.0 - stl_iterator.h:1107-1240 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.580.120.08521023.0074.1668.071.471.021.311.71NANANANANA
21719libgromacs_mpi.so.7.0.0 - pme_spread.cpp:104-145 [...]_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)Single0.570.110.085280.5011.438.391.382.06161.5714108
19336libgromacs_mpi.so.7.0.0 - update.cpp:481-481 [...]std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL568e5334::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...Single0.550.120.075257.141001001.0311205000
983libgromacs_mpi.so.7.0.0 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.540.120.07511790.8610091.03111210121
21816libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.530.090.07520.0033.3316.671.517.21.501020
1597libgromacs_mpi.so.7.0.0 - atomdata.cpp:1207-1211 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51Innermost0.520.10.075220.57012.51181.67NANANANANA
1497libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:109-151 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Innermost0.470.10.06521872.0089.4782.241.14111.6701011
2693libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:130-176 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.350.070.0552179.2073.8239.31.421.161.741.753.5100.50
2125libgromacs_mpi.so.7.0.0 - kernel_common.cpp:54-76 [...]void _INTERNALecfc3c36::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)Outermost0.30.070.04520.00010.261112.971.750.510.500
19339libgromacs_mpi.so.7.0.0 - update.cpp:1638-1641L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_148Single0.290.060.04520.0006.251116202000
18662libgromacs_mpi.so.7.0.0 - lincs.cpp:798-828 [...]_INTERNAL1bba7552::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...Single0.290.070.0452140.0010094.591112.3325014
18646libgromacs_mpi.so.7.0.0 - lincs.cpp:1087-1089 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Innermost0.280.060.045240.0006.251.061.216213010
21183libgromacs_mpi.so.7.0.0 - pairs.cpp:863-935 [...]void _INTERNAL5738f0d5::do_pairs_simple<gmx::SimdFloat, 16, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float)Single0.270.070.0452176.2525.4828.451.3311.32.33NANANANANA
1580libgromacs_mpi.so.7.0.0 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.250.080.03360.0006.251116201600
2671libgromacs_mpi.so.7.0.0 - pairlist.cpp:2966-3474 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.230.050.035228.673.417.241.832.5815.61.67NANANANANA
20843libgromacs_mpi.so.7.0.0 - bonded.cpp:1151-1255 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.210.050.0352465.3347.2750.672.1311.452.5NANANANANA
21721libgromacs_mpi.so.7.0.0 - pme_spread.cpp:172-174 [...]_INTERNALae0e43be::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)Single0.20.050.03520.0006.2511162.520251
21715libgromacs_mpi.so.7.0.0 - pme_spread.cpp:197-199 [...]L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4Innermost0.180.060.02520.0006.251116322000
2672libgromacs_mpi.so.7.0.0 - pairlist.cpp:3407-3411 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...Innermost0.180.050.02528.0006.251.211.28162.500100
1588libgromacs_mpi.so.7.0.0 - atomdata.cpp:1173-1179 [...]_INTERNALa817b2b7::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])Single0.170.060.025241.5006.251.471.5716302010
5130libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:209-211 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Innermost0.170.050.024928.0006.2512.61162.501001
20945libgromacs_mpi.so.7.0.0 - bonded.cpp:129-2014 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...Outermost0.150.050.025244.502.877.481.291.1814.292.5NANANANANA
17834libgromacs_mpi.so.7.0.0 - calc_verletbuf.cpp:530-721 [...]_INTERNALc226143a::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, float)Innermost0.150.90.02176.506.839.111.772.421NANANANANA
21179libgromacs_mpi.so.7.0.0 - pairs.cpp:125-824 [...]float _INTERNAL5738f0d5::do_pairs_general<(BondedKernelFlavor)2>(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>, gm...Single0.140.040.025254.006.258.111.71.6519.782NANANANANA
1596libgromacs_mpi.so.7.0.0 - atomdata.cpp:1109-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51Innermost0.140.150.021716.00100100111301001
20856libgromacs_mpi.so.7.0.0 - bonded.cpp:2059-2126 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...Single0.140.050.0251176.0017.0615.422.5312.372.5NANANANANA
5129libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:207-211 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127InBetween0.130.040.025141.5006.251.581.58162NANANANANA
21806libgromacs_mpi.so.7.0.0 - fft5d.cpp:835-886 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.120.060.02470.0008.611114.873NANANANANA
995libgromacs_mpi.so.7.0.0 - kernel_outer.h:541-544 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.120.040.02521236.0098.8895.811.0111430132
5127libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:182-187 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Innermost0.110.030.02493.505018.232.4119.3232101.50
18657libgromacs_mpi.so.7.0.0 - lincs.cpp:919-930 [...]_INTERNAL1bba7552::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL1bba7552::gmx::ArrayRef<_INTERNAL1bba7552::gmx::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)Single0.110.030.0150384.0010092.37111315002
18774libgromacs_mpi.so.7.0.0 - md_support.cpp:139-157 [...]L__ZN17_INTERNAL727fa8dd19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_11Innermost0.110.040.0152142.001.757.041.171.4218.464NANANANANA
989libgromacs_mpi.so.7.0.0 - stl_iterator.h:1107-1240 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Outermost0.10.040.01501833.0069.3464.451.451.031.354NANANANANA
19100libgromacs_mpi.so.7.0.0 - settle.cpp:423-649 [...]void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, false>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float...Single0.10.030.01511664.0099.0298.91.0811330020
993libgromacs_mpi.so.7.0.0 - kernel_outer.h:559-562 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.090.040.01502864.0099.0196.281.0111430132
21740libgromacs_mpi.so.7.0.0 - pme_spread.cpp:524-641 [...]_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween0.090.030.014417.0006.2511163NANANANANA
19165libgromacs_mpi.so.7.0.0 - sim_util.cpp:473-473 [...]L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_126Single0.090.040.01470.0006.251116401000
2692libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:185-231 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.090.030.0150312.0074.8539.031.321.161.7633.5000.51
20932libgromacs_mpi.so.7.0.0 - bonded.cpp:445-1084 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...Single0.080.030.0151123.006.48.371.062.2914.2332015.50
21637libgromacs_mpi.so.7.0.0 - pme_solve.cpp:98-561 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Outermost0.080.030.01521107.0046.0848.272.781.031.383NANANANANA
19308libgromacs_mpi.so.7.0.0 - update.cpp:361-387 [...]_INTERNAL568e5334::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short...Single0.080.020.015263.0006.251.121.4216206010
1593libgromacs_mpi.so.7.0.0 - atomdata.cpp:1119-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51InBetween0.080.030.014032.004045.631.8211.14303000
990libgromacs_mpi.so.7.0.0 - kernel_outer.h:581-581 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.070.030.01441936.0010093.58111320121
984libgromacs_mpi.so.7.0.0 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.070.030.01421152.0098.8290.661.0311330230
21714libgromacs_mpi.so.7.0.0 - pme_spread.cpp:188-199 [...]L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4InBetween0.070.020.01420.0007.391115.362NANANANANA
21713libgromacs_mpi.so.7.0.0 - pme_spread.cpp:441-445L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4Innermost0.070.030.01430.0007.811114.67310000
3697libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:234-282 [...]_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...Outermost0.070.030.01420.005.3311.922.87113.193NANANANANA
21813libgromacs_mpi.so.7.0.0 - fft5d.cpp:899-1382 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.060.020.01360.0007.51115.692NANANANANA
128gmx_mpi - __intel_skx_avx512_memsetSingle0.060.030.01350.00100100111301000
21711libgromacs_mpi.so.7.0.0 - pme_spread.cpp:438-447L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4InBetween0.060.030.01420.0006.811115.61310000
2691libgromacs_mpi.so.7.0.0 - pairlist_simd_2xmm.h:237-242 [...]_INTERNALb293ce76::makeClusterListSimd2xnn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)Single0.050.020.0142160.005.888.821113.622NANANANANA
21465libgromacs_mpi.so.7.0.0 - pme_grid.cpp:537-539unwrap_periodic_pmegrid(gmx_pme_t*, float*)Innermost0.050.030.01330.0006.251116302000
21437libgromacs_mpi.so.7.0.0 - pme_grid.cpp:395-404copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)Innermost0.040.020.01330.0008.59119.17210000
21659libgromacs_mpi.so.7.0.0 - pme_solve.cpp:457-470solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.040.010.014881.0013.648.811.081.0814.29117000
2703libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)InBetween0.040.010.01320.0007.351115.021NANANANANA
21712libgromacs_mpi.so.7.0.0 - pme_spread.cpp:441-445L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_4Innermost0.040.020280.0008.651115210000
1591libgromacs_mpi.so.7.0.0 - atomdata.cpp:1053-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51InBetween0.040.010330.004.559.521139.51NANANANANA
2673libgromacs_mpi.so.7.0.0 - pairlist.cpp:3392-3396 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...Innermost0.040.020360.0006.251.291.3316200001
21464libgromacs_mpi.so.7.0.0 - pme_grid.cpp:496-539 [...]unwrap_periodic_pmegrid(gmx_pme_t*, float*)InBetween0.040.020.01370.0006.581115.672NANANANANA
21808libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Innermost0.040.030.01290.00012.5118300020
3911libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]void _INTERNAL80d859f8::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> &g...InBetween0.030.020210.0008.791136.572NANANANANA
19168libgromacs_mpi.so.7.0.0 - sim_util.cpp:150-150 [...]_INTERNALc6865387::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa...Single0.030.010280.0006.251.071.2516102000
18780libgromacs_mpi.so.7.0.0 - mdatoms.cpp:328-497 [...]atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)InBetween0.030.020210.0018.3511.472.272.918.072NANANANANA
5253libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:78-80 [...]gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()Outermost0.030.030240.0045.4540.341.7411.173NANANANANA
18643libgromacs_mpi.so.7.0.0 - lincs.cpp:1155-1155 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Innermost0.030.020230.00100100111204000
2821libgromacs_mpi.so.7.0.0 - pairlist.cpp:3624-3624 [...]void _INTERNALb293ce76::copySelectedListRange<false>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)InBetween0.030.010220.0018.623.843.1511.381NANANANANA
17904libgromacs_mpi.so.7.0.0 - calcvir.cpp:61-81 [...]_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0Innermost0.030.020450.0006.251.191.241601.50200
21128libgromacs_mpi.so.7.0.0 - manage_threading.cpp:127-170 [...]_INTERNAL6f8e2c7b::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)InBetween0.030.19010.0074.7572.291.0411.041NANANANANA
21660libgromacs_mpi.so.7.0.0 - pme_solve.cpp:441-454solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.030.020440.0014.298.931.041.0414.22017000
18645libgromacs_mpi.so.7.0.0 - lincs.cpp:1085-1089 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Outermost0.020.010270.00012.511800210.50
21647libgromacs_mpi.so.7.0.0 - pme_solve.cpp:522-531solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.010180.00100100111103000
2815libgromacs_mpi.so.7.0.0 - pairlist.cpp:3624-3635 [...]void _INTERNALb293ce76::copySelectedListRange<true>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)InBetween0.020.010160.0013.1120.393.3611.441NANANANANA
2702libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-1420 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Outermost0.020.010220.0009.381114.441NANANANANA
3907libgromacs_mpi.so.7.0.0 - localtopology.cpp:731-787 [...]void _INTERNAL80d859f8::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> &g...InBetween0.020.010180.00011.011113.741NANANANANA
3941libgromacs_mpi.so.7.0.0 - localtopology.cpp:416-576 [...]int _INTERNAL80d859f8::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...Outermost0.020.010150.002.9210.464.45117.941NANANANANA
2704libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-1332 [...]_INTERNALb293ce76::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)Innermost0.020.010230.0006.251116100010
20857libgromacs_mpi.so.7.0.0 - bonded.cpp:2179-2256 [...]std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...Single0.020.020130.0012.7715.352.8213.112NANANANANA
21643libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-238 [...]solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.020.010380.001001001.211023000
2670libgromacs_mpi.so.7.0.0 - pairlist.cpp:2966-3474 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.020.010220.005.267.41.562.1161NANANANANA
19163libgromacs_mpi.so.7.0.0 - sim_util.cpp:473-473 [...]L__ZN17_INTERNALc686538717setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_128Single0.020.010180.0006.251116101000
2681libgromacs_mpi.so.7.0.0 - pairlist.cpp:1991-1995 [...]_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.020.010230.0006.25111610.50.5100
20860libgromacs_mpi.so.7.0.0 - bonded.cpp:1822-2327 [...]float _INTERNALc075c6e4::(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*...Single0.020.010170.004.018.321.291.9313.71121130
19099libgromacs_mpi.so.7.0.0 - settle.cpp:423-674 [...]void _INTERNAL4f3e572d::gmx::settleTemplate<_INTERNAL4f3e572d::gmx::SimdFloat, _INTERNAL4f3e572d::gmx::SimdFBool, 16, float const*, true, true>(_INTERNAL4f3e572d::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...Outermost0.020.010230.0098.7598.671.0811031030
1496libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:76-158 [...]nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)Outermost0.020.020290.0034.8830.941.6711.6700.51.50.530.5
2669libgromacs_mpi.so.7.0.0 - pairlist.cpp:2223-3507 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.020.010190.004.828.133.082.0814.50NANANANANA
20947libgromacs_mpi.so.7.0.0 - bonded.cpp:129-3032 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...Single0.020.010190.005.587.771.241.2913.941NANANANANA
2680libgromacs_mpi.so.7.0.0 - pairlist.cpp:1981-1985 [...]_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.020.010210.0006.25111610.510.500
3711libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:314-375 [...]_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)Outermost0.010.04010.0008.851114.381NANANANANA
21639libgromacs_mpi.so.7.0.0 - pme_solve.cpp:555-561solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010190.0010087.5111.1002000
1994libgromacs_mpi.so.7.0.0 - grid.cpp:415-420_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Single0.010.01090.0006.2511161010.250.50
21381libgromacs_mpi.so.7.0.0 - alloc_traits.h:378-835 [...]splinedata_t::~splinedata_t()Single0.010.06010.0009.381116100000
5287libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:278-280 [...]gmx::ThreadedForceBuffer<float [4]>::setupReduction()Innermost0.010.06010.0029.0916.14316122004
20946libgromacs_mpi.so.7.0.0 - bonded.cpp:1914-2008 [...]std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALc075c6e4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...Innermost0.010.010100.007.848.71.121.5813.71131010
4185libgromacs_mpi.so.7.0.0 - partition.cpp:525-533 [...]_INTERNAL83cfe191::make_dd_indices(gmx_domdec_t*, int)InBetween0.010.04010.004.5510.531112.161NANANANANA
21805libgromacs_mpi.so.7.0.0 - fft5d.cpp:835-886 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010090.0006.671115.360NANANANANA
2668libgromacs_mpi.so.7.0.0 - pairlist.cpp:2223-3507 [...]void _INTERNALb293ce76::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...InBetween0.010.010120.005.887.541.461.56160NANANANANA
21121libgromacs_mpi.so.7.0.0 - manage_threading.cpp:365-367 [...]setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)Innermost0.010.010110.00012.5118101001
18637libgromacs_mpi.so.7.0.0 - lincs.cpp:1215-1223 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Single0.010.010210.00471.031.0814.5022100
21733libgromacs_mpi.so.7.0.0 - pme_spread.cpp:523-702 [...]_INTERNALae0e43be::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)InBetween0.010080.002.359.7112.511.430NANANANANA
2874libgromacs_mpi.so.7.0.0 - stl_algobase.h:909-910std::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>...Single0.010.01070.00012.5118101000
1595libgromacs_mpi.so.7.0.0 - atomdata.cpp:1106-1221 [...]L__ZN17_INTERNALa817b2b737nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_51InBetween0.010.02080.004045.631.8211.14202000
21783libgromacs_mpi.so.7.0.0 - fft.cpp:115-123gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)Single0.010.010290.000101114.86010000
21103libgromacs_mpi.so.7.0.0 - listed_forces.cpp:419-445 [...]_INTERNAL01945b58::calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdato...Innermost0.010.010120.0011.4312.724.381.168.421NANANANANA
3698libgromacs_mpi.so.7.0.0 - domdec_constraints.cpp:254-264 [...]_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...InBetween0.0100150.0007.6411150NANANANANA
18666libgromacs_mpi.so.7.0.0 - lincs.cpp:1255-1324 [...]_INTERNAL1bba7552::gmx::set_lincs_matrix_task(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task*, _INTERNAL1bba7552::gmx::ArrayRef<float const>, int*, int*)InBetween0.010.010100.004.357.882.642.4315.131NANANANANA
3950libgromacs_mpi.so.7.0.0 - localtopology.cpp:505-513 [...]int _INTERNAL80d859f8::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...InBetween0.010070.0006.2511160NANANANANA
991libgromacs_mpi.so.7.0.0 - kernel_outer.h:575-578 [...]nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)Innermost0.010.020160.0099.1493.16111230221
5128libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:200-200 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Innermost0.010.020140.0006.251.331.6716000400
18644libgromacs_mpi.so.7.0.0 - lincs.cpp:1098-1098 [...]_INTERNAL1bba7552::gmx::do_lincs(_INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> const>, _INTERNAL1bba7552::gmx::ArrayRefWithPadding<_INTERNAL1bba7552::gmx::BasicVector<float> >, float const (*...Single0.0100120.00100100111003000
21644libgromacs_mpi.so.7.0.0 - pme_solve.cpp:534-543solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010290.00100100111003000
21804libgromacs_mpi.so.7.0.0 - fft5d.cpp:835-886 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)InBetween0.010.01050.0006.2511161NANANANANA
1643libgromacs_mpi.so.7.0.0 - stl_uninitialized.h:1091-1091 [...]nbnxn_atomdata_t::resizeForceBuffers()Innermost0.010.06010.0014.5811.721112.44111000
2701libgromacs_mpi.so.7.0.0 - pairlist.cpp:3008-3008 [...]_INTERNALb293ce76::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array<unsigned long, 2ul>*, int)Single0.010.010120.00012.5118101100
1579libgromacs_mpi.so.7.0.0 - atomdata.cpp:226-236copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)Single0.010.01060.0006.251116101200
21867libgromacs_mpi.so.7.0.0 - fft_mkl.cpp:483-506 [...]gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)Single0.0100140.0001011160NANANANANA
18682libgromacs_mpi.so.7.0.0 - lincs.cpp:1652-1658 [...]L__ZN17_INTERNAL1bba75523gmx18lincs_thread_setupEPNS0_5LincsEi_1695__par_region2_2_84Innermost0.010.010130.00010.941113.461NANANANANA
2005libgromacs_mpi.so.7.0.0 - grid.cpp:1241-1311 [...]Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)Single0.010.010110.0007.352.422.7814.910NANANANANA
21380libgromacs_mpi.so.7.0.0 - alloc_traits.h:378-835 [...]splinedata_t::~splinedata_t()Single0.010.05010.0009.381116100000
18685libgromacs_mpi.so.7.0.0 - lincs.cpp:1936-1962 [...]_INTERNAL1bba7552::gmx::set_matrix_indices(_INTERNAL1bba7552::gmx::Lincs*, _INTERNAL1bba7552::gmx::Task const&, _INTERNAL1bba7552::gmx::ListOfLists<int> const&, bool)Outermost0.0100110.00NANANANANA0NANANANANA
5126libgromacs_mpi.so.7.0.0 - threaded_force_buffer.cpp:171-211 [...]L__ZN17_INTERNALd056bbd43gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_127Outermost0.0100160.0009.211113.610NANANANANA
1991libgromacs_mpi.so.7.0.0 - grid.cpp:329-408 [...]_INTERNAL5ce61142::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)Outermost0.0100100.0007.292.592.3814.930NANANANANA
21650libgromacs_mpi.so.7.0.0 - pme_solve.cpp:499-511solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)Innermost0.010.010210.0010091.03111.16016000
2682libgromacs_mpi.so.7.0.0 - pairlist.cpp:1998-2000_INTERNALb293ce76::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)Single0.0100150.0006.251116001010
21794libgromacs_mpi.so.7.0.0 - fft5d.cpp:786-1420 [...]fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)Outermost0.010.010110.0008.07119.041NANANANANA
3703libgromacs_mpi.so.7.0.0 - new_allocator.h:120-126 [...]_INTERNAL051658ea::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...InBetween0.010070.008.8213.6117.570NANANANANA
3712libgromacs_mpi.so.7.0.0 - iterator_interface.hpp:459-459 [...]_INTERNAL051658ea::atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)InBetween0.010.05010.003.2511.043.93110.421NANANANANA
4286libgromacs_mpi.so.7.0.0 - redistribute.cpp:349-421 [...]_INTERNAL3b86f157::calc_cg_move(_IO_FILE*, long, gmx_domdec_t*, t_state*, int const*, float (*) [3], float const*, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>)InBetween0.010080.002.026.831.812.0625.360NANANANANA
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