options

Functions

NameModuleCoverage (%)Time (s)Nb ThreadsGFLOP/sDeviation (coverage)Deviation (time)
icx-skxicx-zen3armclang-g3eicx-skxicx-zen3armclang-g3eicx-skxicx-zen3armclang-g3eicx-skxicx-zen3armclang-g3eicx-skxicx-zen3armclang-g3eicx-skxicx-zen3armclang-g3e
nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)libgromacs_mpi.so.7NA29.2353.82NA16.0824.23NA5252NA3147.670.00NA5.431.70NA2.960.88
bool _INTERNAL8eaaea23::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*)libiomp5.so31.520.95NA23.0411.53NA5151NA0.004.48NA5.254.23NA3.792.30NA
nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)libgromacs_mpi.so.721.01NANA15.37NANA52NANA2274.65NANA0.42NANA0.29NANA
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)libgromacs_mpi.so.77.026.44.295.143.521.935252520.000.400.000.841.990.420.611.080.15
nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)libgromacs_mpi.so.7NA4.438.67NA2.433.91NA5252NA3776.490.00NA0.690.37NA0.370.18
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)libgromacs_mpi.so.74.233.181.333.091.750.6525252324.21868.880.001.571.310.371.140.710.16
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]libgromacs_mpi.so.74.783NA3.51.65NA5252NA7.453.45NA0.560.98NA0.400.53NA
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]libgromacs_mpi.so.74.293.43NA3.141.88NA5252NA112.10269.01NA1.041.13NA0.760.61NA
clearForceBuffer(nbnxn_atomdata_t*, int)libgromacs_mpi.so.71.352.751.180.991.510.535252520.000.000.000.201.060.200.140.580.08
gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)libgromacs_mpi.so.72.251.330.761.640.730.3452525288.27108.700.000.240.430.160.170.230.06
Unknown functionanonNANA3.86NANA1.74NANA52NANA0.00NANA0.36NANA0.14
.omp_outlined..2libgromacs_mpi.so.7NANA3.81NANA1.71NANA52NANA0.00NANA0.86NANA0.36
nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]libgromacs_mpi.so.71.61.54NA1.170.85NA5252NA24.4833.71NA0.190.47NA0.130.26NA
_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0libiomp5.so1.711.42NA1.250.78NA5252NA0.0012.15NA3.803.22NA2.761.76NA
nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)libgromacs_mpi.so.73.1NANA2.26NANA52NANA2661.00NANA0.12NANA0.09NANA
__sched_yieldlibc-2.31.soNANA2.76NANA1.24NANA52NANA0.00NANA0.48NANA0.17
mkl_dft_avx2_owns_cRealRecombine_32flibmkl_avx2.so.2NA2.52NANA1.39NANA52NANA104.67NANA0.69NANA0.38NA
__intel_avx_rep_memcpygmx_mpi0.661.84NA0.481.01NA5252NA0.006.04NA0.130.54NA0.090.30NA
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]libgromacs_mpi.so.70.791.55NA0.580.85NA5252NA47.6053.44NA0.080.42NA0.060.23NA
.omp_outlined..4#0x933f98libgromacs_mpi.so.7NANA2.22NANA1NANA52NANA0.00NANA0.36NANA0.14
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])libgromacs_mpi.so.70.880.610.660.640.330.352525248.89162.760.000.160.200.140.110.110.06
std::enable_if<((4)==(4))||((4)==(5)), gmx::BasicVector<float> >::type do_fspline::operator()<4>(std::integral_constant<int, 4>) constlibgromacs_mpi.so.7NANA1.96NANA0.88NANA52NANA0.00NANA0.71NANA0.29
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)libgromacs_mpi.so.70.780.390.610.570.210.28525252474.771927.970.000.080.100.100.060.060.04
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*...libgromacs_mpi.so.70.480.450.80.350.250.36525252272.91536.390.000.100.160.180.070.080.07
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*)libgromacs_mpi.so.7NA0.830.88NA0.460.4NA5252NA425.270.00NA0.270.17NA0.150.07
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...libgromacs_mpi.so.70.870.62NA0.640.34NA5252NA76.89216.02NA0.110.18NA0.080.10NA
nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)libgromacs_mpi.so.7NA0.540.83NA0.30.38NA5252NA2824.800.00NA0.100.11NA0.050.04
__intel_avx_rep_memsetgmx_mpi0.430.94NA0.310.52NA5252NA0.003.11NA0.120.51NA0.090.28NA
.omp_outlined..27libgromacs_mpi.so.7NANA1.12NANA0.51NANA52NANA0.00NANA0.19NANA0.07
mkl_dft_avx2_ownscDftInv_Prime8_32fclibmkl_avx2.so.2NA1.11NANA0.61NANA52NANA295.41NANA0.28NANA0.15NA
kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check()libiomp5.so0.550.56NA0.410.31NA5252NA0.005.09NA0.090.13NA0.070.07NA
_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libiomp5.so0.750.35NA0.550.2NA5252NA0.0050.44NA1.660.74NA1.210.40NA
copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)libgromacs_mpi.so.70.270.650.150.190.360.073936370.000.000.000.130.320.090.100.170.04
PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.68]libgromacs_mpi.so.71.07NANA0.78NANA52NANA103.31NANA0.07NANA0.05NANA
.omp_outlined..36libgromacs_mpi.so.7NANA1.01NANA0.46NANA52NANA0.00NANA0.17NANA0.07
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...libgromacs_mpi.so.70.560.43NA0.410.23NA5252NA28.0747.82NA0.110.18NA0.080.10NA
mkl_dft_avx2_ownscDftInv_Fact4_32fclibmkl_avx2.so.2NA0.99NANA0.54NANA52NANA342.31NANA0.25NANA0.14NA
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*,...libgromacs_mpi.so.70.450.180.330.330.10.15525252568.85979.220.000.080.070.100.060.040.04
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...libgromacs_mpi.so.70.520.43NA0.380.23NA5252NA70.74185.99NA0.060.14NA0.050.08NA
.omp_outlined..8libgromacs_mpi.so.7NANA0.95NANA0.43NANA52NANA0.00NANA0.10NANA0.04
gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo...libgromacs_mpi.so.70.9200.010.6700521319183.16NANA0.150.000.010.110.000.00
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()libgromacs_mpi.so.70.360.350.220.270.190.15252520.000.000.000.120.200.090.090.110.04
mkl_dft_avx512_owns_cRealRecombine_32flibmkl_avx512.so.20.9NANA0.66NANA52NANA92.61NANA0.25NANA0.18NANA
gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]libgromacs_mpi.so.70.310.57NA0.230.31NA5252NA0.000.00NA0.060.22NA0.040.12NA
kmp_flag_64<false, true>::wait(kmp_info*, int, void*)libomp.soNANA0.86NANA0.39NANA52NANA0.00NANA0.18NANA0.07
(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*,...libgromacs_mpi.so.7NA0.240.58NA0.130.26NA5252NA866.010.00NA0.070.11NA0.040.04
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)libgromacs_mpi.so.7NA0.230.56NA0.130.25NA5252NA441.500.00NA0.070.11NA0.040.04
PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]libgromacs_mpi.so.7NA0.76NANA0.42NANA52NANA230.11NANA0.13NANA0.07NA
.omp_outlined.#0x931c04libgromacs_mpi.so.7NANA0.64NANA0.29NANA52NANA0.00NANA0.16NANA0.06
mkl_dft_avx512_ipps_cFFTfwd_64_32fclibmkl_avx512.so.20.62NANA0.46NANA52NANA205.22NANA0.17NANA0.13NANA
pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)libgromacs_mpi.so.70.190.210.180.140.120.0852525274.36163.140.000.040.080.050.030.040.02
.omp_outlined..19#0x889adclibgromacs_mpi.so.7NANA0.58NANA0.26NANA52NANA0.00NANA0.13NANA0.05
mkl_dft_avx2_ipps_cFFTfwd_64_32fclibmkl_avx2.so.2NA0.56NANA0.31NANA52NANA92.71NANA0.18NANA0.10NA
mkl_dft_avx512_mg_rowbatch_plain_bwd_096_slibmkl_avx512.so.20.49NANA0.36NANA52NANA781.33NANA0.11NANA0.08NANA
(anonymous namespace)::do_dih_fup_noshiftf_simd(int const*, int const*, int const*, int const*, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, float (*) [4])libgromacs_mpi.so.7NANA0.45NANA0.2NANA52NANA0.00NANA0.12NANA0.05
nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)libgromacs_mpi.so.70.44NANA0.32NANA52NANA1743.00NANA0.05NANA0.03NANA
.omp_outlined..17libgromacs_mpi.so.7NANA0.42NANA0.19NANA52NANA0.00NANA0.12NANA0.05
mkl_dft_avx512_mg_rowbatch_plain_fwd_096_slibmkl_avx512.so.20.39NANA0.28NANA52NANA991.72NANA0.05NANA0.04NANA
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)libgromacs_mpi.so.70.040.010.330.030.010.155252520.0027.130.000.020.010.090.010.010.04
mkl_dft_avx2_ownscDftFwd_Prime8_32fclibmkl_avx2.so.2NA0.37NANA0.21NANA52NANA897.40NANA0.12NANA0.06NA
_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libiomp5.so0.150.14NA0.110.08NA5252NA0.0012.89NA0.210.09NA0.150.05NA
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]libgromacs_mpi.so.70.20.08NA0.150.04NA5252NA0.000.00NA0.070.05NA0.050.03NA
void 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)libgromacs_mpi.so.70.27NANA0.2NANA52NANA204.35NANA0.05NANA0.04NANA
reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]libgromacs_mpi.so.70.140.11NA0.10.06NA5252NA43.3061.83NA0.030.04NA0.020.02NA
mkl_dft_avx2_ownscDftFwd_Fact4_32fclibmkl_avx2.so.2NA0.24NANA0.13NANA52NANA916.39NANA0.09NANA0.05NA
dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs_mpi.so.70.060.070.110.040.040.0552525287.50146.910.000.020.040.050.020.020.02
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>, ...libgromacs_mpi.so.70.040.030.170.030.010.08525252127.67280.630.000.020.020.040.010.010.02
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...libgromacs_mpi.so.70.070.050.110.050.030.05525252195.60144.840.000.020.030.040.020.010.02
mkl_dft_avx2_ippsDFTFwd_RToCCS_32flibmkl_avx2.so.2NA0.2NANA0.11NANA52NANA79.80NANA0.08NANA0.04NA
Unknown functionlibgromacs_mpi.so.70.030.080.090.020.050.04525252279.5042.730.000.010.050.060.010.030.03
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)libgromacs_mpi.so.70.060.060.070.050.030.0352525289.20167.840.000.020.030.030.020.020.01
mkl_dft_avx512_ipps_cFFTinv_64_32fclibmkl_avx512.so.20.18NANA0.14NANA52NANA869.72NANA0.04NANA0.03NANA
DftiComputeBackwardlibmkl_intel_lp64.so.20.10.08NA0.080.04NA5252NA347.00722.07NA0.040.03NA0.030.01NA
mkl_dft_avx2_ownscDftInv_Fact3_32fclibmkl_avx2.so.2NA0.18NANA0.1NANA52NANA527.74NANA0.05NANA0.03NA
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@296libgromacs_mpi.so.7NA0.17NANA0.09NANA52NANA1294.17NANA0.06NANA0.03NA
mkl_dft_avx2_ownscDftFwd_Fact3_32fclibmkl_avx2.so.2NA0.17NANA0.09NANA52NANA821.86NANA0.05NANA0.03NA
.omp_outlined..25libgromacs_mpi.so.7NANA0.16NANA0.07NANA52NANA0.00NANA0.05NANA0.02
DftiComputeForwardlibmkl_intel_lp64.so.20.070.08NA0.050.05NA5252NA449.60415.18NA0.020.03NA0.010.02NA
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608libgromacs_mpi.so.70.15NANA0.11NANA52NANA376.73NANA0.04NANA0.03NANA
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...libgromacs_mpi.so.70.060.050.040.040.030.0252525138.25118.540.000.020.030.020.020.020.01
.omp_outlined..14libgromacs_mpi.so.7NANA0.14NANA0.06NANA52NANA0.00NANA0.05NANA0.02
void armpl::fft::execute_dit<std::complex<float>, std::complex<float>, std::complex<float> >(armpl::fft::composition<std::complex<float>, std::complex<float> > const&, long, std::complex<float>*, std::com...libarmpl.soNANA0.14NANA0.06NANA52NANA0.00NANA0.04NANA0.02
evaluate_single(float, float, float const*, float, float, float, float, float*, float*)libgromacs_mpi.so.70.080.06NA0.060.03NA5252NA41.17176.34NA0.030.03NA0.020.01NA
mkl_dft_avx2_ipps_cFFTinv_64_32fclibmkl_avx2.so.2NA0.14NANA0.07NANA52NANA1144.35NANA0.05NANA0.03NA
mkl_dft_avx2_owns_cCcsRecombine_32flibmkl_avx2.so.2NA0.14NANA0.08NANA52NANA845.20NANA0.06NANA0.03NA
bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs_mpi.so.70.040.060.040.030.030.0252524868.33197.210.000.020.020.020.010.010.01
__kmp_launch_threadlibiomp5.so0.020.12NA0.010.07NA4851NA0.002.14NA0.010.06NA0.010.03NA
__libm_atan2f_l9gmx_mpi0.080.05NA0.060.03NA5252NA41.83165.75NA0.030.03NA0.020.02NA
__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libomp.soNANA0.12NANA0.06NANA52NANA0.00NANA0.05NANA0.02
__libm_sincosf_e7gmx_mpi0.070.04NA0.050.02NA5252NA43.60213.00NA0.020.02NA0.020.01NA
.omp_outlined.#0x867d00libgromacs_mpi.so.7NANA0.11NANA0.05NANA52NANA0.00NANA0.03NANA0.01
void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*)libiomp5.so0.010.1NA0.010.06NA4151NA0.000.00NA0.010.01NA0.000.00NA
__aarch64_ldadd8_acq_rellibomp.soNANA0.1NANA0.05NANA52NANA0.00NANA0.08NANA0.03
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*...libgromacs_mpi.so.70.050.010.040.040.010.02334532285.00814.640.000.070.030.050.050.010.02
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:...libgromacs_mpi.so.70.030.040.020.020.020.015051410.000.000.000.010.020.020.010.010.01
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]libgromacs_mpi.so.70.010.08NA0.010.04NA4051NA0.000.00NA0.010.04NA0.010.02NA
calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone .extracted]libgromacs_mpi.so.70.040.05NA0.030.03NA5252NA251.67362.00NA0.020.02NA0.010.01NA
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...libgromacs_mpi.so.70.020.030.030.020.020.014442410.000.000.000.010.030.020.010.010.01
dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted]libgromacs_mpi.so.70.060.02NA0.040.01NA5039NA0.000.00NA0.020.01NA0.020.01NA
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.70.060.02NA0.050.01NA5252NA734.40750.01NA0.030.02NA0.020.01NA
rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]libgromacs_mpi.so.70.040.04NA0.030.02NA5246NA0.000.00NA0.020.03NA0.010.01NA
Unknown function[vdso]0NA0.080NA0.041NA52NANA0.000.00NA0.050.00NA0.02
void armpl::fft::execute_dif<std::complex<float>, float, std::complex<float> >(armpl::fft::composition<std::complex<float>, float> const&, long, std::complex<float>*, float*, long, long, long, long, std::complex<f...libarmpl.soNANA0.07NANA0.03NANA52NANA0.00NANA0.03NANA0.01
mkl_dft_avx512_owns_cCcsRecombine_32flibmkl_avx512.so.20.07NANA0.05NANA52NANA759.20NANA0.02NANA0.02NANA
__kmp_launch_threadlibomp.soNANA0.07NANA0.03NANA51NANA0.00NANA0.03NANA0.01
void armpl::fft::execute_dit<float, std::complex<float>, std::complex<float> >(armpl::fft::composition<float, std::complex<float> > const&, long, float*, std::complex<float>*, long, long, long, long, std::complex<...libarmpl.soNANA0.07NANA0.03NANA51NANA0.00NANA0.03NANA0.01
kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check()libiomp5.so0.040.03NA0.030.02NA3152NA0.00123.31NA0.080.07NA0.060.04NA
.omp_outlined..3#0x923ef8libgromacs_mpi.so.7NANA0.06NANA0.03NANA52NANA0.00NANA0.03NANA0.01
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.31]libgromacs_mpi.so.7NA0.06NANA0.03NANA51NANA0.00NANA0.03NANA0.02NA
__fs_sin_1libamath_aarch64.soNANA0.06NANA0.03NANA52NANA0.00NANA0.03NANA0.01
__GI___sched_yieldlibc-2.28.soNA0.06NANA0.03NANA52NANA0.00NANA0.02NANA0.01NA
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.70.020.020.020.010.010.01525240944.00488.510.000.010.010.020.010.010.01
.omp_outlined.#0x8838b0libgromacs_mpi.so.7NANA0.05NANA0.02NANA51NANA0.00NANA0.03NANA0.01
mkl_dft_avx512_ippsFFTFwd_RToPerm_32flibmkl_avx512.so.20.05NANA0.04NANA52NANA292.25NANA0.03NANA0.02NANA
sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]libgromacs_mpi.so.70.030.02NA0.020.01NA5252NA48.0059.88NA0.010.02NA0.010.01NA
__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libomp.soNANA0.05NANA0.02NANA52NANA0.00NANA0.03NANA0.01
__kmp_invoke_microtasklibiomp5.so0.010.04NA0.010.02NA4052NA0.0014.69NA0.010.02NA0.010.01NA
mkl_serv_verbose_modelibmkl_core.so.20.020.03NA0.010.01NA5152NA0.00740.51NA0.010.01NA0.010.01NA
__fs_atan2_1libamath_aarch64.soNANA0.05NANA0.02NANA51NANA0.00NANA0.02NANA0.01
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)libgromacs_mpi.so.70.010.010.030.010.010.011110.000.000.000.000.000.000.000.000.00
mkl_dft_avx2_ownscDftFwd_PrimeFact_32fclibmkl_avx2.so.2NA0.05NANA0.03NANA52NANA694.47NANA0.02NANA0.01NA
__libm_acosf_l9gmx_mpi0.030.02NA0.020.01NA5252NA5.50200.00NA0.010.02NA0.010.01NA
atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]libgromacs_mpi.so.70.020.03NA0.010.02NA5146NA3.001.25NA0.010.02NA0.010.01NA
@plt_start@libarmpl.soNANA0.04NANA0.02NANA51NANA0.00NANA0.02NANA0.01
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.70.020.02NA0.010.01NA5152NA672.00418.51NA0.010.01NA0.010.01NA
__kmpc_for_static_init_4libiomp5.so0.020.02NA0.010.01NA4843NA0.000.00NA0.010.01NA0.010.01NA
__kmp_barrierlibiomp5.so0.020.02NA0.010.01NA4652NA0.00222.00NA0.010.02NA0.010.01NA
__kmp_join_barrier(int)libiomp5.so0.020.02NA0.020.01NA5252NA0.00441.63NA0.010.01NA0.010.01NA
compute_mg_row_bwdlibmkl_avx512.so.20.04NANA0.03NANA52NANA112.00NANA0.01NANA0.01NANA
unknown_kernel_regionkernel0.040NA0.030NA5252NA6.67NANA0.020.00NA0.020.00NA
calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted]libgromacs_mpi.so.70.020.02NA0.020.01NA5152NA156.00447.13NA0.010.01NA0.010.01NA
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.70.020.010.010.010.010.01111112.00116.630.000.000.000.000.000.000.00
acosflibm-2.31.soNANA0.04NANA0.02NANA50NANA0.00NANA0.02NANA0.01
.omp_outlined..38libgromacs_mpi.so.7NANA0.04NANA0.02NANA51NANA0.00NANA0.02NANA0.01
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...libgromacs_mpi.so.70.0200.020.0100.0131522992.00NA0.000.030.010.030.020.000.01
mkl_dft_avx2_ownscDftInv_PrimeFact_32fclibmkl_avx2.so.2NA0.04NANA0.02NANA52NANA746.13NANA0.03NANA0.01NA
gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, int, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, g...libgromacs_mpi.so.70.010.020.010.010.0101110.000.00NA0.000.000.000.000.000.00
unwrap_periodic_pmegrid(gmx_pme_t*, float*)libgromacs_mpi.so.70.010.020.010.010.0101110.000.00NA0.000.000.000.000.000.00
.omp_outlined.#0x90e7b0libgromacs_mpi.so.7NANA0.03NANA0.01NANA44NANA0.00NANA0.02NANA0.01
mkl_dft_avx2_ippsFFTInv_CCSToR_32flibmkl_avx2.so.2NA0.03NANA0.02NANA52NANA516.01NANA0.02NANA0.01NA
compute_1d_small_fwdlibmkl_avx2.so.2NA0.03NANA0.02NANA52NANA129.44NANA0.04NANA0.02NA
mkl_dft_avx2_ippsFFTFwd_RToPerm_32flibmkl_avx2.so.2NA0.03NANA0.02NANA52NANA84.75NANA0.02NANA0.01NA
compute_mg_row_fwdlibmkl_avx512.so.20.03NANA0.02NANA52NANA240.00NANA0.01NANA0.01NANA
armpl::fft::iface::plan_dft_many<std::complex<float>, std::complex<float> >::execute(void*, long, void*, long)libarmpl.soNANA0.03NANA0.01NANA43NANA0.00NANA0.02NANA0.01
calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) [clone .1] [clone .extracted]libgromacs_mpi.so.7NANA0.03NANA0.01NANA47NANA0.00NANA0.02NANA0.01
std::complex<float>* armpl::fft::get_memory<std::complex<float> >(armpl::fft::buffer_name, unsigned long)libarmpl.soNANA0.03NANA0.01NANA47NANA0.00NANA0.02NANA0.01
gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52]libgromacs_mpi.so.70.010.02NA0.010.01NA4140NA0.000.00NA0.010.02NA0.010.01NA
void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*)libomp.soNANA0.03NANA0.01NANA48NANA0.00NANA0.02NANA0.01
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.70.010.010.010.010.010.01495232960.00154.630.000.010.010.010.010.010.00
set_pbc_simd(t_pbc const*, float*)libgromacs_mpi.so.70.010.010.010.01003752248.00NANA0.010.010.010.000.010.00
Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)libgromacs_mpi.so.70.010.010.010.010.0103128190.000.00NA0.010.010.010.010.010.00
gmx::ThreadedForceBuffer<float [4]>::setupReduction()libgromacs_mpi.so.70.010.010.010.01001110.00NANA0.000.000.000.000.000.00
mkl_dft_avx512_ippsFFTInv_CCSToR_32flibmkl_avx512.so.20.03NANA0.02NANA51NANA440.00NANA0.01NANA0.01NANA
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> >*)libgromacs_mpi.so.70.010.010.010.01001110.00NANA0.000.000.000.000.000.00
gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*)libgromacs_mpi.so.70.010.010.01000111NANANA0.000.000.000.000.000.00
(anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef<int const>, int, WorkDivision const&, float const (*) [3], float (*) [4], float (*) [3], t_forcerec const*, t_pbc const*, gmx_grppairener_t*, t_nrnb*,...libgromacs_mpi.so.70.0100.02000.01295239NANA0.000.000.010.020.000.000.01
unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30]libgromacs_mpi.so.70.03NANA0.02NANA50NANA0.00NANA0.01NANA0.01NANA
gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted]libgromacs_mpi.so.70.010.02NA0.010.01NA3842NA0.000.00NA0.010.01NA0.000.01NA
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_mdatoms const*, t_fcdata...libgromacs_mpi.so.70.020.01NA0.010.01NA4952NA5.00151.50NA0.010.01NA0.010.01NA
__kmp_finish_implicit_tasklibiomp5.so0.010.01NA0.010NA4152NA16.00NANA0.010.01NA0.010.00NA
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...libgromacs_mpi.so.70.010.0100.01004528190.00NANA0.010.010.000.010.010.00
__kmpc_barrierlibiomp5.so0.010.01NA00NA3252NANANANA0.010.01NA0.000.00NA
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)libgromacs_mpi.so.70.010.01NA0.010NA3225NA0.00NANA0.020.01NA0.010.00NA
__kmp_invoke_task_funclibiomp5.so0.010.01NA0.010NA3952NA0.00NANA0.010.01NA0.010.00NA
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]libgromacs_mpi.so.70.010.01NA0.010NA4440NA9.00NANA0.010.01NA0.010.00NA
gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted]libgromacs_mpi.so.70.010.01NA00NA2619NANANANA0.010.01NA0.010.01NA
nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted]libgromacs_mpi.so.70.010.01NA00NA3131NANANANA0.010.01NA0.000.00NA
Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)libgromacs_mpi.so.70.010.01NA0.010.01NA3435NA1.003.63NA0.010.01NA0.010.01NA
__kmpc_for_static_finilibiomp5.so0.010.01NA00NA3252NANANANA0.010.01NA0.000.00NA
__libm_exp_l9gmx_mpi0.010.01NA0.010NA11NA18.00NANA0.000.00NA0.000.00NA
mkl_dft_avx2_ippsDFTInv_CToC_32fclibmkl_avx2.so.2NA0.02NANA0.01NANA52NANA635.13NANA0.02NANA0.01NA
mkl_dft_avx2_ippsDFTFwd_CToC_32fclibmkl_avx2.so.2NA0.02NANA0.01NANA52NANA823.01NANA0.01NANA0.01NA
__cosf_finitelibamath_aarch64.soNANA0.02NANA0.01NANA40NANA0.00NANA0.01NANA0.00
__libm_erfcf_exgmx_mpi0.010.01NA0.010NA11NA52.00NANA0.000.00NA0.000.00NA
dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted]libgromacs_mpi.so.70.010.01NA0.010NA3430NA0.00NANA0.010.00NA0.000.00NA
compute_1d_small_bwdlibmkl_avx2.so.2NA0.02NANA0.01NANA52NANA697.38NANA0.01NANA0.01NA
Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t*, gmx::Range<int>, gmx::ArrayRef<int>)libgromacs_mpi.so.70.010.01000.01028277NA0.00NA0.010.010.000.000.010.00
__kmp_invoke_microtasklibomp.soNANA0.02NANA0.01NANA34NANA0.00NANA0.01NANA0.01
.omp_outlined..19libgromacs_mpi.so.7NANA0.02NANA0.01NANA34NANA0.00NANA0.01NANA0.01
.omp_outlined.#0x4f4404libgromacs_mpi.so.7NANA0.02NANA0.01NANA36NANA0.00NANA0.02NANA0.01
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...libgromacs_mpi.so.70.010.0100.01002737961.00NANA0.010.020.010.010.010.00
mkl_dft_avx512_ippsDFTInv_CCSToR_32flibmkl_avx512.so.20.02NANA0.01NANA50NANA96.00NANA0.01NANA0.01NANA
compute_1d_small_fwdlibmkl_avx512.so.20.02NANA0.01NANA52NANA688.00NANA0.01NANA0.01NANA
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>...libgromacs_mpi.so.70.010.01NA0.010.01NA3936NA0.000.00NA0.010.01NA0.000.00NA
__kmp_init_implicit_tasklibiomp5.so0.020NA0.020NA4812NA0.00NANA0.010.00NA0.010.00NA
quicksortgmx_mpi0.02NANA0.02NANA50NANA4.00NANA0.01NANA0.01NANA
mkl_dft_avx512_ippsDFTFwd_RToCCS_32flibmkl_avx512.so.20.02NANA0.02NANA52NANA264.00NANA0.01NANA0.01NANA
gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])libgromacs_mpi.so.70.0100.010.01003348205.00NANA0.010.010.000.010.000.00
fftwf_execute_dftlibarmpl.soNANA0.02NANA0.01NANA38NANA0.00NANA0.02NANA0.01
compute_1d_small_bwdlibmkl_avx512.so.20.02NANA0.01NANA52NANA736.00NANA0.01NANA0.01NANA
gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)libgromacs_mpi.so.70.010.01000.010303512NA0.00NA0.000.010.000.000.010.00
nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t*, interaction_const_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::StepWorkload const&, int, float*, float*, gmx_wallcycle*) [clone ....libgromacs_mpi.so.70.010.01NA00NA3052NANANANA0.000.01NA0.000.00NA
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...libgromacs_mpi.so.70.010.01NA00NA2752NANANANA0.000.01NA0.000.01NA
_intel_fast_memcpygmx_mpi0.010.01NA00NA2846NANANANA0.010.01NA0.000.00NA
__kmp_invoke_task_funclibomp.soNANA0.02NANA0.01NANA46NANA0.00NANA0.02NANA0.01
__kmp_join_barrier(int)libomp.soNANA0.02NANA0.01NANA44NANA0.00NANA0.01NANA0.01
__kmp_barrierlibomp.soNANA0.02NANA0.01NANA43NANA0.00NANA0.01NANA0.01
@plt_start@libomp.soNANA0.02NANA0.01NANA43NANA0.00NANA0.01NANA0.01
__memcpy_avx_unaligned_ermslibc-2.28.soNA0.01NANA0NANA1NANANANANA0.00NANA0.00NA
mkl_dft_avx2_ippsDFTInv_CCSToR_32flibmkl_avx2.so.2NA0.01NANA0.01NANA52NANA403.38NANA0.01NANA0.01NA
.omp_outlined..49libgromacs_mpi.so.7NANA0.01NANA0NANA18NANANANANA0.01NANA0.00
mkl_dft_avx2_transfer_ipp_mkl_errorlibmkl_avx2.so.2NA0.01NANA0NANA52NANANANANA0.01NANA0.00NA
__kmp_get_global_thread_id_reglibomp.soNANA0.01NANA0NANA19NANANANANA0.01NANA0.00
__nss_database_lookuplibc.so.60.01NANA0.01NANA2NANA0.00NANA0.30NANA0.22NANA
void std::vector<int, std::allocator<int> >::_M_range_insert<gmx::ArrayRefIter<int const> >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<int> > >, gmx::ArrayRefIter<int const>, gmx::Arra...libgromacs_mpi.so.70.01NANA0.01NANA44NANA0.00NANA0.01NANA0.01NANA
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>...libgromacs_mpi.so.7NANA0.01NANA0NANA15NANANANANA0.01NANA0.00
__sched_yieldlibc.so.60.01NANA0.01NANA43NANA0.00NANA0.01NANA0.01NANA
__nss_database_lookuplibc-2.31.soNANA0.01NANA0NANA2NANANANANA0.17NANA0.08
void std::vector<int, std::allocator<int> >::_M_range_insert<gmx::ArrayRefIter<int const> >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<int> > >, gmx::ArrayRefIter<int const>, gmx::Arra...libgromacs_mpi.so.7NANA0.01NANA0NANA23NANANANANA0.01NANA0.00
__exp_finitelibamath_aarch64.soNANA0.01NANA0.01NANA1NANA0.00NANA0.00NANA0.00
.omp_outlined..21libgromacs_mpi.so.7NANA0.01NANA0NANA22NANANANANA0.01NANA0.00
.omp_outlined.#0x923d34libgromacs_mpi.so.7NANA0.01NANA0.01NANA37NANA0.00NANA0.01NANA0.00
clearRVecs(gmx::ArrayRef<gmx::BasicVector<float> >, bool) [clone .extracted]libgromacs_mpi.so.700.01NA00NA1223NANANANA0.000.01NA0.000.00NA
nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>, gmx::ArrayRef<float const>, gmx::ArrayRef<long const>)libgromacs_mpi.so.700.010000111NANANA0.000.000.000.000.000.00
__kmpc_maskedlibiomp5.so00.01NA00.01NA625NANA0.00NA0.000.01NA0.000.01NA
fftwf_execute_dft_r2clibarmpl.soNANA0.01NANA0.01NANA36NANA0.00NANA0.01NANA0.00
armpl::fft::iface::plan_dft_many<std::complex<float>, float>::execute(void*, long, void*, long)libarmpl.soNANA0.01NANA0NANA24NANANANANA0.00NANA0.00
__kmpc_barrierlibomp.soNANA0.01NANA0.01NANA35NANA0.00NANA0.01NANA0.00
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]libgromacs_mpi.so.7NANA0.01NANA0.01NANA27NANA0.00NANA0.01NANA0.00
gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)...libgromacs_mpi.so.700.01NA00NA1733NANANANA0.000.01NA0.000.01NA
gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...libgromacs_mpi.so.700.01NA00NA2127NANANANA0.000.00NA0.000.00NA
mm_account_ptr_by_tidlibmkl_core.so.20.010NA00NA463NANANANA0.000.00NA0.000.00NA
mkl_serv_verbose_mode@pltlibmkl_intel_lp64.so.20.010NA00NA3651NANANANA0.000.00NA0.000.00NA
Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*)libgromacs_mpi.so.700.010000111NANANA0.000.000.000.000.000.00
mkl_dft_avx512_transfer_ipp_mkl_errorlibmkl_avx512.so.20.01NANA0NANA42NANANANANA0.01NANA0.00NANA
__kmp_yieldlibiomp5.so00.01NA00.01NA2738NANA0.00NA0.000.01NA0.000.01NA
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)libgromacs_mpi.so.70.010000029188NANANA0.000.000.000.000.000.00
__kmp_finish_implicit_tasklibomp.soNANA0.01NANA0.01NANA36NANA0.00NANA0.01NANA0.00
.omp_outlined.#0x869790libgromacs_mpi.so.7NANA0.01NANA0.01NANA37NANA0.00NANA0.01NANA0.00
__kmpc_for_static_init_4libomp.soNANA0.01NANA0NANA31NANANANANA0.01NANA0.00
.omp_outlined.libgromacs_mpi.so.7NANA0.01NANA0.01NANA30NANA0.00NANA0.01NANA0.00
.omp_outlined.#0x90f7e8libgromacs_mpi.so.7NANA0.01NANA0NANA25NANANANANA0.01NANA0.00
__kmpc_for_static_finilibomp.soNANA0.01NANA0NANA24NANANANANA0.01NANA0.00
armpl::fft::iface::plan_dft_many<float, std::complex<float> >::execute(void*, void*)libarmpl.soNANA0.01NANA0NANA22NANANANANA0.01NANA0.00
__kmp_api_omp_get_thread_numlibomp.soNANA0.01NANA0NANA23NANANANANA0.01NANA0.00
__expf_finitelibamath_aarch64.soNANA0.01NANA0NANA1NANANANANA0.00NANA0.00
pthread_attr_setschedparamlibc-2.31.soNANA0.01NANA0NANA1NANANANANA0.00NANA0.00
void armpl::fft::execute<float, std::complex<float> >(armpl::fft::composition<float, std::complex<float> > const&, long, float*, std::complex<float>*, long, long, long, long)libarmpl.soNANA0.01NANA0NANA25NANANANANA0.01NANA0.00
.omp_outlined.#0x861a44libgromacs_mpi.so.7NANA0.01NANA0NANA22NANANANANA0.01NANA0.00
.omp_outlined.#0x5113b8libgromacs_mpi.so.7NANA0.01NANA0NANA24NANANANANA0.01NANA0.00
coslibm-2.31.soNANA0.01NANA0NANA32NANANANANA0.01NANA0.00
.omp_outlined.#0x46c854libgromacs_mpi.so.7NANA0.01NANA0NANA26NANANANANA0.01NANA0.00
__kmpc_for_static_init_8libomp.soNANA0.01NANA0NANA26NANANANANA0.01NANA0.00
sloejit::function::finalise(sloejit::stack_frame_info const*)libarmpl.soNANA0.01NANA0NANA1NANANANANA0.00NANA0.00
__acosf_finitelibm-2.31.soNANA0.01NANA0NANA26NANANANANA0.01NANA0.00
armpl::fft::iface::plan_dft_many<float, std::complex<float> >::execute(void*, long, void*, long)libarmpl.soNANA0.01NANA0NANA30NANANANANA0.01NANA0.00
__kmp_fork_barrier(int, int)libomp.soNANA0NANA0NANA15NANANANANA0.01NANA0.00
.omp_outlined.#0x8400a8libgromacs_mpi.so.7NANA0NANA0NANA15NANANANANA0.01NANA0.00
vprintflibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::fft::iface::plan_dft_many<std::complex<float>, float>::execute(void*, void*)libarmpl.soNANA0NANA0NANA17NANANANANA0.01NANA0.00
__kmp_fork_calllibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmp_now_nseclibomp.soNANA0NANA0NANA15NANANANANA0.01NANA0.00
.omp_outlined..28libgromacs_mpi.so.7NANA0NANA0NANA14NANANANANA0.01NANA0.00
void armpl::fft::execute<std::complex<float>, float>(armpl::fft::composition<std::complex<float>, float> const&, long, std::complex<float>*, float*, long, long, long, long)libarmpl.soNANA0NANA0NANA14NANANANANA0.01NANA0.00
fftwf_execute_dft_c2rlibarmpl.soNANA0NANA0NANA16NANANANANA0.00NANA0.00
__kmp_init_implicit_tasklibomp.soNANA0NANA0NANA8NANANANANA0.00NANA0.00
armpl::fft::iface::plan_dft_many<std::complex<float>, std::complex<float> >::execute(void*, void*)libarmpl.soNANA0NANA0NANA13NANANANANA0.01NANA0.00
armpl::wfta::print_common(void**, std::__cxx11::list<armpl::wfta::expr, std::allocator<armpl::wfta::expr> >, armpl::wfta::target const&, long, armpl::wfta::io_pointers const&, std::vector<long, std::allocator<long> > const&a...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::expr::print(armpl::wfta::ir_builder&, armpl::wfta::target const&, std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, armpl::wfta::ir_value_impl*, std::less<std::__cxx11::ba...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::do_hoist(armpl::wfta::ir_value_scope*)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::map<armpl::wfta::atom, armpl::wfta::ir_value_impl*, std::less<armpl::wfta::atom>, std::allocator<std::pair<armpl::wfta::atom const, armpl::wfta::ir_value_impl*> > >::at(armpl::wfta::atom const&)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, armpl::wfta::ir_value_impl*, std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > >,...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::map<int, std::pair<armpl::wfta::ir_value_impl*, int>, std::less<int>, std::allocator<std::pair<int const, std::pair<armpl::wfta::ir_value_impl*, int> > > >::operator[](int const&)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::is_local_ptr(armpl::wfta::io_pointers const&, armpl::wfta::atom const&)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::ir_value_scope_any_order_iterator::operator*()libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
mdoutf_get_tng_box_output_interval(gmx_mdoutf*)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
set_strata_max(armpl::wfta::ir_value_impl*, int) [clone .43] [clone .extracted]libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::ir_builder::build_index(armpl::wfta::ir_value_impl*, armpl::wfta::ir_value_impl*, armpl::wfta::ir_value_num_elems)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::ir_value_scope_any_order_iterator::ir_value_scope_any_order_iterator(armpl::wfta::ir_value_scope*, std::vector<armpl::wfta::ir_value_impl*, std::allocator<armpl::wfta::ir_value_impl*> >)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
gmx::EnergyOutput::recordNonEnergyStep()libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree<int, std::pair<int const, std::pair<armpl::wfta::ir_value_impl*, int> >, std::_Select1st<std::pair<int const, std::pair<armpl::wfta::ir_value_impl*, int> > >, std::less<int>, std::allocator<std::pair&...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree<int, std::pair<int const, std::pair<sloejit::block*, sloejit::live_range const*> >, std::_Select1st<std::pair<int const, std::pair<sloejit::block*, sloejit::live_range const*> > >, std::less<int>, std::a...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
@plt_start@libamath_aarch64.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__aarch64_ldadd4_acq_rellibarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
swapcontextlibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmp_internal_joinlibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmp_join_calllibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree_iterator<std::pair<armpl::wfta::atom const, armpl::wfta::ir_value_impl*> > std::_Rb_tree<armpl::wfta::atom, std::pair<armpl::wfta::atom const, armpl::wfta::ir_value_impl*>, std::_Select1st<std::pair<armpl::wfta::ato...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::prettify_algo(std::__cxx11::list<armpl::wfta::expr, std::allocator<armpl::wfta::expr> >&, armpl::wfta::io_pointers const&, armpl::wfta::fresh_atom_factory&)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::array<std::vector<sloejit::block_live_matrix::element, std::allocator<sloejit::block_live_matrix::element> >, 4ul>::~array()libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::map<armpl::wfta::atom, armpl::wfta::expr_type, std::less<armpl::wfta::atom>, std::allocator<std::pair<armpl::wfta::atom const, armpl::wfta::expr_type> > >::at(armpl::wfta::atom const&)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::ir_value_impl::ir_value_impl(armpl::wfta::ir_value_scope*, armpl::wfta::ir_value_op, std::shared_ptr<armpl::wfta::ir_value_type>, std::vector<armpl::wfta::ir_value_impl*, std::allocator<armpl::wfta::ir_value_impl*> >, std::ve...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree<armpl::wfta::atom, std::pair<armpl::wfta::atom const, armpl::wfta::expr_type>, std::_Select1st<std::pair<armpl::wfta::atom const, armpl::wfta::expr_type> >, std::less<armpl::wfta::atom>, std::allocator<std::pair&...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::map<double, sloejit::live_position_elem, std::less<double>, std::allocator<std::pair<double const, sloejit::live_position_elem> > >::operator[](double const&)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmp_free_teamlibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
accumulatePotentialEnergies(gmx_enerdata_t*, gmx::ArrayRef<float const>, t_lambda const*)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
update_pcouple_before_coordinates(_IO_FILE*, long, t_inputrec const*, t_state*, float (*) [3], float (*) [3], bool)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
void std::vector<char, std::allocator<char> >::_M_range_insert<char*>(__gnu_cxx::__normal_iterator<char*, std::vector<char, std::allocator<char> > >, char*, char*, std::forward_iterator_tag) [clone .22] [clone .extract...libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
__fd_log_1libamath_aarch64.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
_IO_file_xsputnlibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmp_task_team_setuplibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree_increment(std::_Rb_tree_node_base const*)libstdc++.so.6.0.29NANA0NANA0NANA1NANANANANA0.00NANA0.00
strchrnullibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
_IO_fwritelibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmpc_end_masterlibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
_dl_rtld_di_serinfold-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
operator new(unsigned long)libstdc++.so.6.0.29NANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmpc_fork_calllibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__pthread_cleanup_push_deferlibpthread-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
update_pcouple_after_coordinates(_IO_FILE*, long, t_inputrec const*, int, gmx::ArrayRef<unsigned short const>, float const (*) [3], float const (*) [3], float const (*) [3], float (*) [3], t_state*, t_nrnb*, gmx::BoxDeformation*, bool)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
explicit_bzerolibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::ir_printer_sve::operator()(std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::unique_ptr<sloejit::function, std::default_delete<sloejit::function> >, std::less<std...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
bool armpl::fft::audition_perms<std::complex<float>, std::complex<float> >(std::vector<long, std::allocator<long> >, long, std::complex<float>*, std::complex<float>*, armpl::fft::direction, armpl::fft::decimation, ...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__fs_log_1libamath_aarch64.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_MakeUniq<armpl::fft::iface::central_plan_dft<std::complex<float>, std::complex<float> > >::__single_object std::make_unique<armpl::fft::iface::central_plan_dft<std::complex<float>, std::complex<float> >, a...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::reorder_input(std::complex<double>*, std::complex<double> const*, std::vector<int, std::allocator<int> > const&)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__clock_gettimelibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__aarch64_ldadd4_rellibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
getVdwKernelType(Nbnxm::KernelType, LJCombinationRule, VanDerWaalsType, InteractionModifiers, LongRangeVdW)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree_node<std::pair<int const, armpl::wfta::regmap_elem> >* std::_Rb_tree<int, std::pair<int const, armpl::wfta::regmap_elem>, std::_Select1st<std::pair<int const, armpl::wfta::regmap_elem> >, std::less<int>,...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
distributeState(gmx::MDLogger const&, gmx_domdec_t*, gmx_mtop_t const&, t_state*, gmx_ddbox_t const&, t_state*)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
.omp_outlined.#0x46abd4libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> >::_M_default_append(unsigned long) [clone .39] [clone .extracted]libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::fft::iface::central_plan_dft<float, std::complex<float> >::execute_gs(long, void*, long, long, void*, long, long)libarmpl.soNANA0NANA0NANA15NANANANANA0.00NANA0.00
std::_Rb_tree_decrement(std::_Rb_tree_node_base const*)libstdc++.so.6.0.29NANA0NANA0NANA1NANANANANA0.00NANA0.00
save_calloc_aligned(char const*, char const*, int, unsigned long, unsigned long, unsigned long)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree_increment(std::_Rb_tree_node_base*)libstdc++.so.6.0.29NANA0NANA0NANA1NANANANANA0.00NANA0.00
_ZNSt6vectorIfSaIfEE17_M_default_appendEm.14.extracted#0x92ccf4libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
__exp1libamath_aarch64.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmpc_global_thread_numlibomp.soNANA0NANA0NANA7NANANANANA0.00NANA0.00
_dl_var_initld-2.31.soNANA0NANA0NANA8NANANANANA0.00NANA0.00
void armpl::fft::execute<std::complex<float>, std::complex<float> >(armpl::fft::composition<std::complex<float>, std::complex<float> > const&, long, std::complex<float>*, std::complex<float>*, long, long,...libarmpl.soNANA0NANA0NANA8NANANANANA0.00NANA0.00
armpl::wfta::do_opt(armpl::wfta::target const&, armpl::wfta::ir_value_scope*)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
.omp_outlined.#0x894508libgromacs_mpi.so.7NANA0NANA0NANA5NANANANANA0.00NANA0.00
sloejit::regmap<sloejit::regset_one_space>::operator[](sloejit::reg)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
.omp_outlined..21#0x895194libgromacs_mpi.so.7NANA0NANA0NANA4NANANANANA0.01NANA0.00
__libc_malloclibc-2.31.soNANA0NANA0NANA2NANANANANA0.02NANA0.01
__kmp_task_team_synclibomp.soNANA0NANA0NANA4NANANANANA0.01NANA0.00
spill_reg(sloejit::function*, std::map<sloejit::reg, sloejit::reg, std::less<sloejit::reg>, std::allocator<std::pair<sloejit::reg const, sloejit::reg> > >&, std::map<sloejit::reg, std::vector<sloejit::instruction*, std::al...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__memcpylibastring_aarch64.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::do_dedup(armpl::wfta::ir_value_scope*)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__mth_i_erfclibamath_aarch64.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
void do_dih_fup<(BondedKernelFlavor)0>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) [clone .57] [clone .extracted]libgromacs_mpi.so.7NANA0NANA0NANA9NANANANANA0.01NANA0.00
__kmp_yieldlibomp.soNANA0NANA0NANA11NANANANANA0.01NANA0.00
_ZNSt6vectorIiSaIiEE17_M_default_appendEm.26.extracted#0x502c6clibgromacs_mpi.so.7NANA0NANA0NANA15NANANANANA0.00NANA0.00
psiginfolibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmp_resume_if_soft_pausedlibomp.soNANA0NANA0NANA13NANANANANA0.00NANA0.00
armpl::fft::release_compositor_buf()libarmpl.soNANA0NANA0NANA9NANANANANA0.01NANA0.00
.omp_outlined..23#0x8624eclibgromacs_mpi.so.7NANA0NANA0NANA9NANANANANA0.00NANA0.00
__kmpc_masterlibomp.soNANA0NANA0NANA11NANANANANA0.00NANA0.00
armpl::fft::iface::central_plan_dft<std::complex<float>, float>::execute_gs(long, void*, long, long, void*, long, long)libarmpl.soNANA0NANA0NANA10NANANANANA0.00NANA0.00
.omp_outlined..51libgromacs_mpi.so.7NANA0NANA0NANA9NANANANANA0.01NANA0.00
__mempcpylibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::fft::iface::central_plan_dft<std::complex<float>, std::complex<float> >::execute_gs(long, void*, long, long, void*, long, long)libarmpl.soNANA0NANA0NANA4NANANANANA0.00NANA0.00
__libc_freelibc-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::ir_value_scope_in_order_iterator::ir_value_scope_in_order_iterator(armpl::wfta::ir_value_scope*, std::vector<armpl::wfta::ir_value_impl*, std::allocator<armpl::wfta::ir_value_impl*> >, bool)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
isMasterSimMasterRank(gmx_multisim_t const*, bool)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::type_check(std::__cxx11::list<armpl::wfta::expr, std::allocator<armpl::wfta::expr> >&, armpl::wfta::io_pointers const&, armpl::wfta::expr_type, armpl::wfta::expr_type)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
apply_physical_subs(sloejit::arch_traits const*, sloejit::regset_one_space const&, sloejit::regmap<sloejit::reg> const&)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
armpl::wfta::ir_value_scope::begin_any_order()libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::vector<unsigned char, std::allocator<unsigned char> >::_M_default_append(unsigned long) [clone .119] [clone .extracted]libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
do_md_trajectory_writing(_IO_FILE*, t_commrec*, int, t_filenm const*, long, long, double, t_inputrec const*, t_state*, t_state*, ObservablesHistory*, gmx_mtop_t const&, t_forcerec*, gmx_mdoutf*, gmx::EnergyOutput const&, gmx_ekindata_t*, gmx::Array...libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
set_pbc_dd(t_pbc*, PbcType, int const*, bool, float const (*) [3])libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
std::pair<bool, std::optional<armpl::fft::composition<std::complex<float>, std::complex<float> > > > armpl::fft::composite_init_from_factors<std::complex<float>, std::complex<float> >(long, armpl::fft::direct...libarmpl.soNANA0NANA0NANA2NANANANANA0.00NANA0.00
gmx::ImdSession::run(long, bool, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, double)libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
gmx::ObservablesReducer::markAsReadyToReduce()libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
std::vector<float, gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::_M_default_append(unsigned long) [clone .23] [clone .extracted]libgromacs_mpi.so.7NANA0NANA0NANA2NANANANANA0.00NANA0.00
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long) [clone .23] [clone .extracted]libgromacs_mpi.so.7NANA0NANA0NANA4NANANANANA0.00NANA0.00
sloejit::live_positions::emplace(sloejit::block*, sloejit::reg, sloejit::instruction*, bool, bool, bool)libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree_decrement(std::_Rb_tree_node_base*)libstdc++.so.6.0.29NANA0NANA0NANA1NANANANANA0.00NANA0.00
std::pair<std::_Rb_tree_iterator<std::pair<int const, std::unique_ptr<armpl::wfta::ir_value_impl, std::default_delete<armpl::wfta::ir_value_impl> > > >, bool> std::_Rb_tree<int, std::pair<int const, std::unique_ptr<ar...libarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
aarch64_traits::post_regalloc_hook(sloejit::function*) constlibarmpl.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__bcmplibastring_aarch64.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
__kmp_allocate_teamlibomp.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
std::optional<armpl::fft::kernel_data<std::complex<float>, std::complex<float>, void> > armpl::fft::get_kernel_data<std::complex<float>, std::complex<float> >(long, armpl::fft::direction, int, bool, bool)libarmpl.soNANA0NANA0NANA2NANANANANA0.00NANA0.00
std::_Function_handler<gmx::StopSignal (), gmx::StopHandlerBuilder::getStopHandlerMD(gmx::compat::not_null<gmx::SimulationSignal*>, bool, bool, int, bool, int, float, bool, _IO_FILE*, long const&, bool const&, gmx_walltime_accounting*)::$_...libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
.omp_outlined.#0x83e9cclibgromacs_mpi.so.7NANA0NANA0NANA3NANANANANA0.00NANA0.00
std::_Rb_tree_insert_and_rebalance(bool, std::_Rb_tree_node_base*, std::_Rb_tree_node_base*, std::_Rb_tree_node_base&)libstdc++.so.6.0.29NANA0NANA0NANA1NANANANANA0.00NANA0.00
_ZNSt6vectorIfN3gmx9AllocatorIfNS0_23AlignedAllocationPolicyEEEE17_M_default_appendEm.13.extracted#0x92cb20libgromacs_mpi.so.7NANA0NANA0NANA1NANANANANA0.00NANA0.00
std::_Rb_tree_rebalance_for_erase(std::_Rb_tree_node_base*, std::_Rb_tree_node_base&)libstdc++.so.6.0.29NANA0NANA0NANA1NANANANANA0.00NANA0.00
.omp_outlined.#0x4cd704libgromacs_mpi.so.7NANA0NANA0NANA3NANANANANA0.00NANA0.00
_dl_fixupld-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
mkl_dft_avx2_transfer_ipp_mkl_error@pltlibmkl_avx2.so.2NA0NANA0NANA44NANANANANA0.00NANA0.00NA
logfgmx_mpiNA0NANA0NANA1NANANANANA0.00NANA0.00NA
update_tcouple(long, t_inputrec const*, t_state*, gmx_ekindata_t*, t_extmass const*, int, gmx::ArrayRef<unsigned short const>)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> >)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto...libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx_reverse_top_t::molblockIndices() constlibgromacs_mpi.so.700NA00NA44NANANANA0.000.00NA0.000.00NA
gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)...libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
erfcfgmx_mpi00NA00NA11NANANANA0.000.00NA0.000.00NA
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::VirtualSitesHandler*, gmx::StepWo...libgromacs_mpi.so.70NA00NA01NA1NANANA0.00NA0.000.00NA0.00
gmx_parallel_3dfft_execute(gmx_parallel_3dfft*, gmx_fft_direction, int, gmx_wallcycle*)libgromacs_mpi.so.70000002491NANANA0.000.000.000.000.000.00
inflate_fastlibmpi.so.12.0.00NANA0NANA1NANANANANA0.00NANA0.00NANA
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
.plt.got@startlibmkl_avx512.so.20NANA0NANA2NANANANANA0.00NANA0.00NANA
gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx::InMemoryDeserializer::doFloat(float*)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
calculateSimpleBond(int, 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*, int*, BondedKernelFlavor)libgromacs_mpi.so.700000055112NANANA0.000.000.010.000.000.00
void doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&)libgromacs_mpi.so.700NA00NA725NANANANA0.000.00NA0.000.00NA
mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3])libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx_reverse_top_t::hasIntermolecularInteractions() constlibgromacs_mpi.so.7000000681NANANA0.000.000.000.000.000.00
_IO_fwritelibc.so.60NANA0NANA1NANANANANA0.00NANA0.00NANA
mkl_dft_avx512_owns_cRealRecombine_32f@pltlibmkl_avx512.so.20NANA0NANA6NANANANANA0.01NANA0.00NANA
__kmp_join_calllibiomp5.so00NA00NA11NANANANA0.000.00NA0.000.00NA
acosfgmx_mpi00NA00NA513NANANANA0.000.00NA0.000.00NA
Nbnxm::GridSet::setLocalAtomOrder()libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
dd_bonded_cg_distance(gmx::MDLogger const&, gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], gmx::DDBondedChecking, float*, float*)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
getGroupType(SimulationGroups const&, SimulationAtomGroupType, int)libgromacs_mpi.so.700NA00NA65NANANANA0.000.00NA0.000.00NA
numPbcDimensions(PbcType)libgromacs_mpi.so.70NANA0NANA2NANANANANA0.00NANA0.00NANA
gmx_reverse_top_t::options() constlibgromacs_mpi.so.70NANA0NANA2NANANANANA0.00NANA0.00NANA
ListedForces::haveCpuListedForces(t_fcdata const&) constlibgromacs_mpi.so.70NA00NA01NA1NANANA0.00NA0.000.00NA0.00
gmx::Update::update_sd_second_half(t_inputrec const&, long, float*, int, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, t_state*, t_commrec const*, t_nrnb*, gmx_wallcycle*, gmx::Constraints*, bool, bool)libgromacs_mpi.so.70NA00NA01NA1NANANA0.00NA0.000.00NA0.00
ListedForces::calculate(gmx_wallcycle*, float const (*) [3], t_lambda const*, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_fcdata*,...libgromacs_mpi.so.700NA00NA11NANANANA0.000.00NA0.000.00NA
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
xdr_float(XDR*, float*)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
std::_Function_handler<gmx::StopSignal (), gmx::StopHandlerBuilder::getStopHandlerMD(gmx::compat::not_null<gmx::SimulationSignal*>, bool, bool, int, bool, int, float, bool, _IO_FILE*, long const&, bool const&, gmx_walltime_accounting*)::{l...libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
compute_globals(gmx_global_stat*, t_commrec*, t_inputrec const*, t_forcerec*, gmx_ekindata_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], t_mdatoms const*, t_nrnb...libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)libgromacs_mpi.so.700NA00NA11NANANANA0.000.00NA0.000.00NA
CpuPpLongRangeNonbondeds::calculate(gmx_pme_t*, t_commrec const*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceWithVirial*, gmx_enerdata_t*, float const (*) [3], gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<...libgromacs_mpi.so.70NA00NA01NA1NANANA0.00NA0.000.00NA0.00
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx_reverse_top_t::hasPositionRestraints() constlibgromacs_mpi.so.7000000262NANANA0.000.000.000.000.000.00
xdrstdio_putint32(XDR*, int*)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
expgmx_mpi00NA00NA11NANANANA0.000.00NA0.000.00NA
void std::vector<nbnxn_cj_t, gmx::DefaultInitializationAllocator<nbnxn_cj_t, std::allocator<nbnxn_cj_t> > >::_M_realloc_insert<nbnxn_cj_t const&>(__gnu_cxx::__normal_iterator<nbnxn_cj_t*, std::vector<nbnxn_cj_t, gmx::Defau...libgromacs_mpi.so.70NANA0NANA2NANANANANA0.00NANA0.00NANA
PairlistSet::dispatchPruneKernel(nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]libgromacs_mpi.so.700NA00NA219NANANANA0.000.00NA0.000.00NA
make_local_bondeds_excls(gmx_domdec_t const&, gmx_domdec_zones_t const&, gmx_mtop_t const&, gmx::ArrayRef<long const>, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, InteractionDefin...libgromacs_mpi.so.700NA00NA21NANANANA0.000.00NA0.000.00NA
_dl_rtld_di_serinfold-linux-x86-64.so.20NANA0NANA1NANANANANA0.00NANA0.00NANA
nonbonded_verlet_t::dispatchNonbondedKernel(gmx::InteractionLocality, interaction_const_t const&, gmx::StepWorkload const&, int, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, t_nrn...libgromacs_mpi.so.70NA00NA01NA1NANANA0.00NA0.000.00NA0.00
__kmpc_push_num_threadslibiomp5.so00NA00NA11NANANANA0.000.00NA0.000.00NA
reduce_energies_over_lists(nbnxn_atomdata_t const*, int, float*, float*)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
expfgmx_mpi00NA00NA11NANANANA0.000.00NA0.000.00NA
__libm_exp_k32gmx_mpi00NA00NA11NANANANA0.000.00NA0.000.00NA
reset_enerdata(gmx_enerdata_t*)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx::LegacySimulator::do_md()libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
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>)libgromacs_mpi.so.700000022376NANANA0.000.010.000.000.000.00
__libm_expf_l9gmx_mpi00NA00NA11NANANANA0.000.00NA0.000.00NA
clear_fshift(float*)libgromacs_mpi.so.70000001624NANANA0.000.000.000.000.000.00
__kmpc_for_static_init_8libiomp5.so00NA00NA2022NANANANA0.000.00NA0.000.00NA
PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...libgromacs_mpi.so.700NA00NA1634NANANANA0.010.01NA0.000.00NA
__intel_rtdd_indepgmx_mpi0NANA0NANA17NANANANANA0.00NANA0.00NANA
gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>)libgromacs_mpi.so.700000015219NANANA0.000.000.000.000.000.00
__kmp_run_after_invoked_tasklibiomp5.so00NA00NA1429NANANANA0.000.00NA0.000.00NA
dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*)libgromacs_mpi.so.7000000215211NANANA0.000.000.010.000.000.00
__kmp_task_team_synclibiomp5.so00NA00NA2318NANANANA0.000.00NA0.000.00NA
void do_dih_fup<(BondedKernelFlavor)0>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int)libgromacs_mpi.so.700NA00NA1835NANANANA0.010.01NA0.010.01NA
__tls_get_addrld-linux-x86-64.so.20NANA0NANA27NANANANANA0.00NANA0.00NANA
_dl_deallocate_tlsld-linux-x86-64.so.20NANA0NANA23NANANANANA0.00NANA0.00NANA
make_dd_indices(gmx_domdec_t*, int)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
__libm_cos_l9gmx_mpi00NA00NA2510NANANANA0.010.01NA0.000.00NA
parse_printf_formatlibc.so.60NANA0NANA1NANANANANA0.00NANA0.00NANA
__kmp_fork_barrier(int, int)libiomp5.so00NA00NA2346NANANANA0.010.00NA0.000.00NA
gmx::ThreadedForceBuffer<float [4]>::reduce(gmx::ForceWithShiftForces*, float*, gmx_grppairener_t*, gmx::ArrayRef<float>, gmx::StepWorkload const&, int)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
do_force(_IO_FILE*, t_commrec const*, gmx_multisim_t const*, t_inputrec const&, gmx::Awh*, gmx_enfrot*, gmx::ImdSession*, pull_t*, long, t_nrnb*, gmx_wallcycle*, gmx_localtop_t const*, float const (*) [3], gmx::ArrayRefWithPadding<gmx::BasicVector&l...libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
gmx_parallel_3dfft_complex_limits(gmx_parallel_3dfft*, int*, int*, int*, int*)libgromacs_mpi.so.700000013517NANANA0.000.000.010.000.000.01
atan2fgmx_mpi00NA00NA2046NANANANA0.000.00NA0.000.00NA
@plt_start@libiomp5.so00NA00NA64NANANANA0.010.00NA0.000.00NA
__kmp_internal_forklibiomp5.so00NA00NA11NANANANA0.000.00NA0.000.00NA
__kmp_fork_calllibiomp5.so00NA00NA11NANANANA0.000.00NA0.000.00NA
low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3])libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
__kmp_release_ticket_locklibiomp5.so00NA00NA11NANANANA0.000.00NA0.000.00NA
mkl_dft_avx512_transfer_ipp_mkl_error@pltlibmkl_avx512.so.20NANA0NANA18NANANANANA0.01NANA0.00NANA
__xpg_basenamelibc.so.60NANA0NANA1NANANANANA0.00NANA0.00NANA
_IO_vfprintflibc.so.60NANA0NANA1NANANANANA0.00NANA0.00NANA
gmx_reverse_top_t::interactionListForMoleculeType(int) constlibgromacs_mpi.so.700NA00NA71NANANANA0.000.00NA0.000.00NA
__kmp_get_global_thread_id_reglibiomp5.so00NA00NA652NANANANA0.000.00NA0.000.00NA
gmx::ThreadForceBuffer<float [4]>::processMask()libgromacs_mpi.so.700000012177NANANA0.000.010.010.000.000.00
gmx_omp_get_thread_num()libgromacs_mpi.so.7000000823NANANA0.000.000.000.000.000.00
float (anonymous namespace)::idihs<(BondedKernelFlavor)2>(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...libgromacs_mpi.so.7000000112212NANANA0.000.000.010.000.000.00
nral_rt(int)libgromacs_mpi.so.700NA00NA1311NANANANA0.000.01NA0.000.01NA
calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) [clone .extracted]libgromacs_mpi.so.700NA00NA1752NANANANA0.000.00NA0.000.00NA
__kmp_resume_if_soft_pausedlibiomp5.so00NA00NA1342NANANANA0.000.00NA0.000.00NA
__kmp_api_omp_get_thread_numlibiomp5.so00NA00NA912NANANANA0.000.00NA0.000.00NA
__kmp_acquire_ticket_locklibiomp5.so00NA00NA11NANANANA0.000.00NA0.000.00NA
_intel_fast_memsetgmx_mpi00NA00NA1130NANANANA0.000.01NA0.000.00NA
__kmp_run_before_invoked_tasklibiomp5.so00NA00NA111NANANANA0.000.00NA0.000.00NA
__kmp_allocate_teamlibiomp5.so00NA00NA11NANANANA0.000.00NA0.000.00NA
sincosfgmx_mpi00NA00NA1541NANANANA0.000.00NA0.000.00NA
mkl_dft_avx2_ownscDftInv_Prime8_32fc@pltlibmkl_avx2.so.2NA0NANA0NANA8NANANANANA0.00NANA0.00NA
set_dhdl_output(gmx_enerdata_t*, FreeEnergyPerturbationCouplingType, t_lambda const&)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
add_ebin(t_ebin*, int, int, float const*, bool)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
AtomIterator::operator==(AtomIterator const&) constlibgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
mkl_dft_avx2_ownscDftInv_Fact4_32fc@pltlibmkl_avx2.so.2NA0NANA0NANA25NANANANANA0.00NANA0.00NA
__GI__dl_addrlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
__strchr_avx2libc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
__strnlen_avx2libc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
wallcycleBarrier(gmx_wallcycle*)libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
gmx::ForceProviders::calculateForces(gmx::ForceProviderInput const&, gmx::ForceProviderOutput*) constlibgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
__ompt_team_assign_id(kmp_team*, ompt_data_t)libiomp5.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
dd_force_flop_stop(gmx_domdec_t*, t_nrnb*)libgromacs_mpi.so.7NA00NA00NA11NANANANA0.000.00NA0.000.00
_INTERNAL41980b6e::__kmp_alloc_argv_entries(int, kmp_team*, int)libiomp5.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
nonbonded_verlet_t::dispatchPruneKernelCpu(gmx::InteractionLocality, gmx::ArrayRef<gmx::BasicVector<float> const>) constlibgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
gmx_omp_nthreads_get(ModuleMultiThread)libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
__tls_get_addr_slowld-2.28.soNA0NANA0NANA17NANANANANA0.00NANA0.00NA
mkl_serv_freelibmkl_core.so.2NA0NANA0NANA1NANANANANA0.00NANA0.00NA
__GI_getenvlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
__mpn_divremlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
gmx::constr_recur(gmx::ListOfLists<int> const&, std::array<InteractionList, 94ul> const&, gmx::ArrayRef<t_iparams const>, bool, int, int, int, gmx::ArrayRef<int>, float, float, float*, int*)libgromacs_mpi.so.7NA00NA00NA11NANANANA0.000.00NA0.000.00
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int)libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
do_stopcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, t_vcm const&) [clone .extracted]libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
ewald_charge_correction(t_commrec const*, float, float, gmx::ArrayRef<double const>, float, float const (*) [3], float*, float (*) [3])libgromacs_mpi.so.7NA00NA00NA11NANANANA0.000.00NA0.000.00
gmx::makeLincsDeviations(gmx::Lincs const&, gmx::ArrayRef<gmx::BasicVector<float> const>, t_pbc const*)libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
_ZN3gmxL16set_lincs_matrixEPNS_5LincsENS_8ArrayRefIKfEEf_tree_reduce_92libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
_IO_padnlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef<gmx::BasicVector<float> >, nbnxn_atomdata_t*)libgromacs_mpi.so.7NA00NA00NA11NANANANA0.000.00NA0.000.00
mkl_dft_avx2_ownscDftFwd_Fact4_32fc@pltlibmkl_avx2.so.2NA0NANA0NANA28NANANANANA0.00NANA0.00NA
__kmp_internal_joinlibiomp5.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
mkl_dft_avx2_owns_cCcsRecombine_32f@pltlibmkl_avx2.so.2NA0NANA0NANA7NANANANANA0.00NANA0.00NA
mkl_dft_avx2_ownscDftFwd_Fact3_32fc@pltlibmkl_avx2.so.2NA0NANA0NANA25NANANANANA0.00NANA0.00NA
shift_x(t_graph const*, float const (*) [3], float const (*) [3], float (*) [3])libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
shift_self(t_graph const&, float const (*) [3], float (*) [3])libgromacs_mpi.so.7NA00NA00NA11NANANANA0.000.00NA0.000.00
_int_malloclibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
mkl_dft_avx2_ippsFFTInv_CCSToR_32f@pltlibmkl_avx2.so.2NA0NANA0NANA30NANANANANA0.00NANA0.00NA
mkl_dft_avx2_ownscDftFwd_Prime8_32fc@pltlibmkl_avx2.so.2NA0NANA0NANA21NANANANANA0.00NANA0.00NA
_GLOBAL__sub_I_tabulatednormaldistribution.cpplibgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
__libm_logf_l9gmx_mpiNA0NANA0NANA1NANANANANA0.00NANA0.00NA
__GI___libc_malloclibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
mkl_dft_avx2_owns_cRealRecombine_32f@pltlibmkl_avx2.so.2NA0NANA0NANA6NANANANANA0.00NANA0.00NA
nrnbIndex(int)libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
__mpn_rshiftlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
_itoa_wordlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
_IO_freadlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
gmx::EnergyOutput::addDataAtEnergyStep(bool, bool, double, float, gmx_enerdata_t const*, t_lambda const*, float const (*) [3], gmx::PTCouplingArrays, int, float const (*) [3], float const (*) [3], gmx_ekindata_t const*, float const*, gmx::Constraints cons...libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
__pthread_cleanup_pop_restorelibpthread-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
.plt.sec@startlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
strcmpld-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
opal_value_array_set_size@pltlibopen-pal.so.40.30.2NA0NANA0NANA1NANANANANA0.00NANA0.00NA
_dl_lookup_symbol_xld-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
ebin_increase_count(int, t_ebin*, bool)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
mkl_dft_avx2_ippsFFTFwd_RToPerm_32f@pltlibmkl_avx2.so.2NA0NANA0NANA3NANANANANA0.01NANA0.01NA
gmx::Update::deform() constlibgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
computeAtomGroupDomainIndex(gmx_domdec_t const&, gmx_ddbox_t const&, float const (&) [3][3], gmx::ArrayRef<std::vector<float, std::allocator<float> > const>, int, int, float const (*) [3], float (*) [3])libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
void std::vector<nbnxn_ci_t, gmx::DefaultInitializationAllocator<nbnxn_ci_t, std::allocator<nbnxn_ci_t> > >::_M_realloc_insert<nbnxn_ci_t const&>(__gnu_cxx::__normal_iterator<nbnxn_ci_t*, std::vector<nbnxn_ci_t, gmx::Defau...libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
ddReopenBalanceRegionCpu(gmx_domdec_t const*)libgromacs_mpi.so.70NA00NA01NA1NANANA0.00NA0.000.00NA0.00
dd_pme_maxshift_x(gmx_domdec_t const&)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
dd_clear_local_constraint_indices(gmx_domdec_t*)libgromacs_mpi.so.700NA00NA11NANANANA0.000.00NA0.000.00NA
__kmpc_global_thread_numlibiomp5.so00NA00NA238NANANANA0.000.00NA0.000.00NA
__libc_malloclibc.so.60NANA0NANA1NANANANANA0.00NANA0.00NANA
std::vector<nbnxn_cj_t, gmx::DefaultInitializationAllocator<nbnxn_cj_t, std::allocator<nbnxn_cj_t> > >::_M_default_append(unsigned long)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
__libc_alloca_cutofflibc.so.60NANA0NANA1NANANANANA0.00NANA0.00NANA
adler32libmpi.so.12.0.00NANA0NANA1NANANANANA0.00NANA0.00NANA
void std::vector<char, std::allocator<char> >::_M_range_insert<char*>(__gnu_cxx::__normal_iterator<char*, std::vector<char, std::allocator<char> > >, char*, char*, std::forward_iterator_tag)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], float (*) [3], float (*) [3], bool)libgromacs_mpi.so.70NA00NA01NA1NANANA0.00NA0.000.00NA0.00
__kmp_task_team_setuplibiomp5.so00NA00NA11NANANANA0.000.00NA0.000.00NA
AtomProxy::residueNumber() constlibgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
gmx::do_constrain_first(_IO_FILE*, gmx::Constraints*, t_inputrec const*, int, int, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], float)libgromacs_mpi.so.700NA00NA11NANANANA0.000.00NA0.000.00NA
DispersionCorrection::calculate(float const (*) [3], float) constlibgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
dd_check_ftype(int, ReverseTopOptions const&)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
InteractionDefinitions::clear()libgromacs_mpi.so.700NA00NA13NANANANA0.000.00NA0.000.00NA
check_box(PbcType, float const (*) [3])libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
v_q_ewald_lr(double, double)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
__kmp_task_team_waitlibiomp5.so0NANA0NANA1NANANANANA0.00NANA0.00NANA
getutmplibc.so.60NANA0NANA1NANANANANA0.00NANA0.00NANA
void std::vector<int, std::allocator<int> >::_M_range_insert<__gnu_cxx::__normal_iterator<int const*, std::vector<int, std::allocator<int> > > >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<...libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
gmx::InMemoryDeserializer::doReal(float*)libgromacs_mpi.so.70NANA0NANA1NANANANANA0.00NANA0.00NANA
gmx::InMemorySerializer::doInt(int*)libgromacs_mpi.so.7000000111NANANA0.000.000.000.000.000.00
update_get_addrld-2.28.soNA0NANA0NANA43NANANANANA0.00NANA0.00NA
__strchrnul_avx2libc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
_IO_vfprintflibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
mkl_dft_avx2_ownscDftFwd_PrimeFact_32fc@pltlibmkl_avx2.so.2NA0NANA0NANA52NANANANANA0.00NANA0.00NA
hack_digitlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
dd_make_local_top(gmx_domdec_t const&, gmx_domdec_zones_t const&, int, float (*) [3], float*, int const*, t_forcerec*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx_localtop_...libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
_IO_fwritelibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
mkl_dft_avx2_ownscDftInv_PrimeFact_32fc@pltlibmkl_avx2.so.2NA0NANA0NANA51NANANANANA0.00NANA0.00NA
do_lookup_xld-2.28.soNA0NANA0NANA2NANANANANA0.01NANA0.00NA
__mpn_mul_1libc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
gmx::InMemoryDeserializer::doInt(int*)libgromacs_mpi.so.700NA00NA11NANANANA0.000.00NA0.000.00NA
mkl_dft_avx2_ownscDftInv_Fact3_32fc@pltlibmkl_avx2.so.2NA0NANA0NANA50NANANANANA0.00NANA0.00NA
__kmpc_fork_calllibiomp5.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
@plt_start@libopen-pal.so.40.20.3NANA0NANA0NANA1NANANANANA0.00NANA0.00
_dl_mcountld-linux-x86-64.so.20NANA0NANA1NANANANANA0.00NANA0.00NANA
mkl_dft_avx512_ippsFFTFwd_RToPerm_32f@pltlibmkl_avx512.so.20NANA0NANA1NANANANANA0.00NANA0.00NANA
_IO_file_xsputnlibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
__tls_get_addrld-2.28.soNA0NANA0NANA52NANANANANA0.00NANA0.00NA
__GI___printf_fp_llibc-2.28.soNA0NANA0NANA1NANANANANA0.00NANA0.00NA
gmx::lincs_thread_setup(gmx::Lincs*, int)libgromacs_mpi.so.7NA0NANA0NANA1NANANANANA0.00NANA0.00NA
.plt.got@startlibmkl_avx2.so.2NA0NANA0NANA50NANANANANA0.00NANA0.00NA
_dl_update_slotinfold-2.28.soNA0NANA0NANA52NANANANANA0.01NANA0.00NA
Unknown functionld-2.31.soNANA0NANA0NANA1NANANANANA0.00NANA0.00
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