OV - Compare Functions

Functions

Name	Module	Coverage (%)	Time (s)	Nb Threads	Deviation (coverage)	Deviation (time)
Name	Module	OV1_ZEN4_10K_MPI_scal	OV1_ZEN4_10K_MPI_scal_AMD_libm	OV1_ZEN4_10K_MPI_scal	OV1_ZEN4_10K_MPI_scal_AMD_libm	OV1_ZEN4_10K_MPI_scal	OV1_ZEN4_10K_MPI_scal_AMD_libm	OV1_ZEN4_10K_MPI_scal	OV1_ZEN4_10K_MPI_scal_AMD_libm	OV1_ZEN4_10K_MPI_scal	OV1_ZEN4_10K_MPI_scal_AMD_libm
void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const*, float c...	libgromacs_mpi.so.9.0.0	22.08	22.27	2.97	3.03	128	128	2.58	2.57	0.34	0.34
ADIOI_GEN_SetLockDirect64	libmpi.so.12.0.0	17.19	17.49	2.32	2.38	192	192	8.77	8.83	1.16	1.18
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)	libgromacs_mpi.so.9.0.0	7.73	8.01	1.04	1.09	192	192	1.87	1.94	0.25	0.26
MPIDI_SHMGR_Gather	libmpi.so.12.0.0	7.71	6.96	1.04	0.95	192	192	5.84	5.58	0.78	0.75
erfcf	libm.so.6	6.42	6.10	0.86	0.83	192	192	1.67	1.59	0.22	0.22
f64xsubf128	libm.so.6	8.36	2.50	1.13	0.34	192	192	2.08	0.76	0.28	0.10
void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const*, float c...	libgromacs_mpi.so.9.0.0	3.89	3.92	0.52	0.53	128	128	0.59	0.65	0.08	0.09
MPIR_Progress_hook_exec_on_vci	libmpi.so.12.0.0	3.15	3.38	0.42	0.46	192	192	1.67	1.73	0.22	0.23
amd_exp_zn4	libalm.so	NA	5.12	NA	0.70	NA	192	NA	1.23	NA	0.17
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, int, float)	libgromacs_mpi.so.9.0.0	1.77	1.73	0.24	0.23	192	192	0.51	0.47	0.07	0.06
MPID_Progress_wait	libmpi.so.12.0.0	1.59	1.73	0.21	0.24	192	192	0.82	0.88	0.11	0.12
fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	libgromacs_mpi.so.9.0.0	1.53	1.57	0.21	0.21	64	64	0.44	0.46	0.06	0.06
gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	libgromacs_mpi.so.9.0.0	1.50	1.53	0.20	0.21	64	64	0.61	0.62	0.08	0.08
.omp_outlined..2	libgromacs_mpi.so.9.0.0	1.32	1.32	0.18	0.18	64	64	0.50	0.57	0.07	0.08
impi_shm_heap_progress	libmpi.so.12.0.0	1.00	1.07	0.13	0.15	192	192	0.54	0.54	0.07	0.07
amd_expf_zn4	libalm.so	NA	1.55	NA	0.21	NA	192	NA	0.42	NA	0.06
MPIDI_SHMI_progress	libmpi.so.12.0.0	0.62	0.69	0.08	0.09	192	192	0.33	0.38	0.04	0.05
gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)	libgromacs_mpi.so.9.0.0	0.61	0.63	0.08	0.09	120	120	0.65	0.71	0.09	0.10
.omp_outlined..37	libgromacs_mpi.so.9.0.0	0.54	0.55	0.07	0.07	120	117	0.58	0.59	0.08	0.08
exp	libm.so.6	1.08	NA	0.15	NA	192	NA	0.30	NA	0.04	NA
.omp_outlined..9#0x65e110	libgromacs_mpi.so.9.0.0	NA	1.08	NA	0.15	NA	128	NA	0.24	NA	0.03
.omp_outlined..9#0x65dd70	libgromacs_mpi.so.9.0.0	1.05	NA	0.14	NA	128	NA	0.13	NA	0.02	NA
I_MPI_memcpy_multipage_sse	libmpi.so.12.0.0	0.50	0.46	0.07	0.06	127	126	0.59	0.59	0.08	0.08
void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, float)	libgromacs_mpi.so.9.0.0	0.44	0.41	0.06	0.06	128	128	0.16	0.20	0.02	0.03
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.9.0.0	0.39	0.38	0.05	0.05	106	110	0.54	0.53	0.07	0.07
solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	libgromacs_mpi.so.9.0.0	0.36	0.36	0.05	0.05	64	64	0.17	0.18	0.02	0.02
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.9.0.0	0.35	0.35	0.05	0.05	128	126	0.24	0.22	0.03	0.03
MPID_Progress_completion_count_get	libmpi.so.12.0.0	0.30	0.33	0.04	0.05	192	192	0.18	0.20	0.02	0.03
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 const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...	libgromacs_mpi.so.9.0.0	0.30	0.30	0.04	0.04	109	108	0.40	0.44	0.05	0.06
mkl_dft_def_ownscDftFwd_Prime8_32fc	libmkl_def.so.2	0.29	0.30	0.04	0.04	64	64	0.19	0.21	0.03	0.03
copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	libgromacs_mpi.so.9.0.0	0.29	0.29	0.04	0.04	128	128	0.13	0.13	0.02	0.02
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.9.0.0	0.29	0.29	0.04	0.04	104	112	0.33	0.35	0.04	0.05
mkl_dft_def_ownscDftInv_Prime8_32fc	libmkl_def.so.2	0.28	0.29	0.04	0.04	64	64	0.18	0.17	0.02	0.02
.omp_outlined..28	libgromacs_mpi.so.9.0.0	0.26	0.26	0.03	0.04	128	128	0.13	0.14	0.02	0.02
dd_move_f(gmx_domdec_t, gmx::ForceWithShiftForces, gmx_wallcycle*)	libgromacs_mpi.so.9.0.0	0.26	0.25	0.03	0.03	128	128	0.14	0.11	0.02	0.01
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.9.0.0	0.22	0.22	0.03	0.03	112	111	0.24	0.25	0.03	0.03
mkl_dft_def_owns_cRadix4InvNorm_32fc	libmkl_def.so.2	0.21	0.21	0.03	0.03	64	64	0.14	0.13	0.02	0.02
mkl_dft_def_owns_cRadix4FwdNorm_32fc	libmkl_def.so.2	0.20	0.22	0.03	0.03	64	64	0.14	0.13	0.02	0.02
do_redist_pos_coeffs(gmx_pme_t, t_commrec const, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>)	libgromacs_mpi.so.9.0.0	0.21	0.20	0.03	0.03	64	64	0.15	0.16	0.02	0.02
MPIDIG_send_origin_cb	libmpi.so.12.0.0	0.20	0.20	0.03	0.03	189	188	0.11	0.10	0.01	0.01
dd_pmeredist_f(gmx_pme_t, PmeAtomComm, gmx::ArrayRef<gmx::BasicVector<float> >, bool)	libgromacs_mpi.so.9.0.0	0.16	0.18	0.02	0.02	64	64	0.16	0.14	0.02	0.02
I_MPI_memcpy_sse	libmpi.so.12.0.0	0.18	0.16	0.02	0.02	187	183	0.11	0.10	0.01	0.01
mkl_dft_def_ownscDftInv_Fact3_32fc	libmkl_def.so.2	0.17	0.16	0.02	0.02	64	64	0.12	0.13	0.02	0.02
mkl_dft_def_ownscDftFwd_Fact3_32fc	libmkl_def.so.2	0.17	0.16	0.02	0.02	64	64	0.10	0.12	0.01	0.02
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608	libgromacs_mpi.so.9.0.0	0.14	0.15	0.02	0.02	102	104	0.20	0.22	0.03	0.03
unknown_function	libgromacs_mpi.so.9.0.0	0.17	0.12	0.02	0.02	186	183	0.10	0.07	0.01	0.01
dd_move_x(gmx_domdec_t, float const () [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*)	libgromacs_mpi.so.9.0.0	0.14	0.14	0.02	0.02	127	128	0.09	0.09	0.01	0.01
int assignInteractionsForAtom<false>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const, bool, float, t_pbc const, gmx::ArrayRef<gmx::BasicVector<float> const>, In...	libgromacs_mpi.so.9.0.0	0.13	0.13	0.02	0.02	115	113	0.17	0.18	0.02	0.02
__memset_avx512_unaligned_erms	libc.so.6	0.13	0.13	0.02	0.02	183	180	0.07	0.07	0.01	0.01
.omp_outlined.#0xc0cfb0	libgromacs_mpi.so.9.0.0	NA	0.24	NA	0.03	NA	64	NA	0.22	NA	0.03
.omp_outlined.#0xc0af60	libgromacs_mpi.so.9.0.0	0.24	NA	0.03	NA	64	NA	0.20	NA	0.03	NA
mkl_dft_def_ownscDftInv_Fact4_32fc	libmkl_def.so.2	0.11	0.11	0.02	0.02	64	64	0.13	0.11	0.02	0.01
mkl_dft_def_ownscDftFwd_Fact4_32fc	libmkl_def.so.2	0.11	0.11	0.01	0.02	64	64	0.11	0.12	0.01	0.02
mkl_dft_def_owns_cCcsRecombine_32f	libmkl_def.so.2	0.10	0.11	0.01	0.02	64	64	0.10	0.14	0.01	0.02
MPIDIG_send_target_msg_cb	libmpi.so.12.0.0	0.10	0.10	0.01	0.01	157	162	0.09	0.09	0.01	0.01
mkl_dft_def_owns_cRealRecombine_32f	libmkl_def.so.2	0.09	0.09	0.01	0.01	64	64	0.12	0.11	0.02	0.01
.omp_outlined.#0xc15900	libgromacs_mpi.so.9.0.0	NA	0.17	NA	0.02	NA	64	NA	0.14	NA	0.02
.omp_outlined.#0xc138b0	libgromacs_mpi.so.9.0.0	0.17	NA	0.02	NA	64	NA	0.14	NA	0.02	NA
dd_move_x_specat(gmx_domdec_t const, gmx_domdec_specat_comm_t, float const () [3], gmx::BasicVector<float>, gmx::BasicVector<float>*, bool)	libgromacs_mpi.so.9.0.0	0.09	0.08	0.01	0.01	118	121	0.09	0.07	0.01	0.01
.plt.sec@start	libm.so.6	0.13	0.01	0.02	0.00	182	51	0.07	0.02	0.01	0.00
gmx_sum_qgrid_dd(gmx_pme_t, float, int)	libgromacs_mpi.so.9.0.0	0.07	0.07	0.01	0.01	63	64	0.08	0.09	0.01	0.01
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.9.0.0	0.06	0.06	0.01	0.01	87	89	0.10	0.09	0.01	0.01
void make_exclusions_zone<false>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx...	libgromacs_mpi.so.9.0.0	0.06	0.06	0.01	0.01	114	115	0.06	0.06	0.01	0.01
gmx_pme_receive_f(gmx::PmePpCommGpu, t_commrec const, gmx::ForceWithVirial, float, float, float, float, bool, bool, float)	libgromacs_mpi.so.9.0.0	0.06	0.06	0.01	0.01	110	117	0.06	0.05	0.01	0.01
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.9.0.0	0.06	0.06	0.01	0.01	84	84	0.07	0.08	0.01	0.01
MPI_Waitall	libmpi.so.12.0.0	0.05	0.06	0.01	0.01	133	139	0.05	0.05	0.01	0.01
MPIDI_GPU_request_free	libmpi.so.12.0.0	0.05	0.05	0.01	0.01	127	127	0.04	0.05	0.01	0.01
copy_fftgrid_to_pmegrid(gmx_pme_t, float const, float*, int, int, int)	libgromacs_mpi.so.9.0.0	0.05	0.05	0.01	0.01	63	64	0.07	0.07	0.01	0.01
copy_pmegrid_to_fftgrid(gmx_pme_t const, float const, float*, int)	libgromacs_mpi.so.9.0.0	0.05	0.05	0.01	0.01	62	62	0.07	0.07	0.01	0.01
.omp_outlined.	libgromacs_mpi.so.9.0.0	0.05	0.04	0.01	0.01	106	106	0.04	0.05	0.01	0.01
amd_ref_atan2f	libalm.so	NA	0.09	NA	0.01	NA	97	NA	0.12	NA	0.02
.omp_outlined..17	libgromacs_mpi.so.9.0.0	0.05	0.04	0.01	0.01	90	92	0.06	0.05	0.01	0.01
.omp_outlined..65	libgromacs_mpi.so.9.0.0	0.04	0.05	0.01	0.01	100	108	0.05	0.05	0.01	0.01
.omp_outlined..4	libgromacs_mpi.so.9.0.0	0.04	0.04	0.01	0.01	103	99	0.04	0.05	0.01	0.01
atanf	libm.so.6	0.08	NA	0.01	NA	91	NA	0.11	NA	0.02	NA
Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)	libgromacs_mpi.so.9.0.0	0.04	0.04	0.01	0.01	101	106	0.05	0.04	0.01	0.01
MPIR_Sendrecv_impl	libmpi.so.12.0.0	0.04	0.04	0.01	0.01	129	118	0.04	0.04	0.01	0.00
.omp_outlined..70	libgromacs_mpi.so.9.0.0	0.04	0.04	0.01	0.01	97	108	0.05	0.04	0.01	0.01
setup_specat_communication(gmx_domdec_t, std::vector<int, std::allocator<int> >, gmx_domdec_specat_comm_t, gmx::HashedMap<int>, int, int, char const, char const)	libgromacs_mpi.so.9.0.0	0.04	0.04	0.01	0.01	102	102	0.04	0.05	0.01	0.01
gmx::dd_partition_system(_IO_FILE, gmx::MDLogger const&, long, t_commrec const, bool, t_state, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession, pull_t, t_state, gmx::ForceBuffers, gmx::MDAtoms, ...	libgromacs_mpi.so.9.0.0	0.04	0.04	0.01	0.01	95	102	0.04	0.04	0.00	0.01
mkl_dft_def_ownscDftInv_PrimeFact_32fc	libmkl_def.so.2	0.04	0.04	0.00	0.01	62	62	0.06	0.06	0.01	0.01
.omp_outlined.#0xb0bc10	libgromacs_mpi.so.9.0.0	NA	0.07	NA	0.01	NA	121	NA	0.06	NA	0.01
.omp_outlined.#0xb09d40	libgromacs_mpi.so.9.0.0	0.07	NA	0.01	NA	124	NA	0.05	NA	0.01	NA
__I_MPI___intel_avx_rep_memcpy	libmpifort.so.12.0.0	0.03	0.04	0.00	0.01	100	119	0.04	0.03	0.01	0.00
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.9.0.0	0.04	0.03	0.00	0.00	65	76	0.07	0.06	0.01	0.01
MPIDIG_progress_compl_list	libmpi.so.12.0.0	0.04	0.03	0.01	0.00	109	100	0.05	0.04	0.01	0.01
mkl_dft_def_ownscDftFwd_PrimeFact_32fc	libmkl_def.so.2	0.04	0.03	0.00	0.00	59	61	0.06	0.05	0.01	0.01
__kmpc_end_serialized_parallel	libomp.so	0.03	0.03	0.00	0.00	106	117	0.03	0.03	0.00	0.00
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.9.0.0	0.03	0.03	0.00	0.00	39	40	0.10	0.10	0.01	0.01
dih_angle(float const, float const, float const, float const, t_pbc const, float, float, float, float, float, int, int, int*)	libgromacs_mpi.so.9.0.0	0.03	0.03	0.00	0.00	61	67	0.05	0.05	0.01	0.01
MPI_T_category_get_pvars	libmpi.so.12.0.0	0.03	0.03	0.00	0.00	105	103	0.03	0.03	0.00	0.00
amd_sinf_zn4	libalm.so	NA	0.06	NA	0.01	NA	82	NA	0.10	NA	0.01
MPI_Isend	libmpi.so.12.0.0	0.03	0.03	0.00	0.00	100	99	0.03	0.03	0.00	0.00
MPID_Progress_idle_timer_tick	libmpi.so.12.0.0	0.03	0.02	0.00	0.00	100	84	0.04	0.03	0.01	0.00
do_force(_IO_FILE, t_commrec const, gmx_multisim_t const, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::Awh, gmx_enfrot, gmx::ImdSession, pull_t, long, t_nrnb, gmx_wallcycle, gmx_localtop_t const, float const (*) [3], gmx::Array...	libgromacs_mpi.so.9.0.0	0.02	0.03	0.00	0.00	82	89	0.03	0.04	0.00	0.00
__kmp_fork_call	libomp.so	0.03	0.02	0.00	0.00	100	85	0.03	0.03	0.00	0.00
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)	libgromacs_mpi.so.9.0.0	0.03	0.02	0.00	0.00	107	85	0.02	0.02	0.00	0.00
gmx::LegacySimulator::do_md()	libgromacs_mpi.so.9.0.0	0.02	0.03	0.00	0.00	77	79	0.03	0.03	0.00	0.00
__kmp_serialized_parallel	libomp.so	0.03	0.02	0.00	0.00	101	89	0.02	0.02	0.00	0.00
.omp_outlined.#0x6c2070	libgromacs_mpi.so.9.0.0	0.05	NA	0.01	NA	117	NA	0.04	NA	0.01	NA
.omp_outlined.#0x6c2410	libgromacs_mpi.so.9.0.0	NA	0.05	NA	0.01	NA	102	NA	0.05	NA	0.01
__acosf_finite	libm.so.6	0.05	NA	0.01	NA	83	NA	0.06	NA	0.01	NA
MPIR_Sendrecv_replace_impl	libmpi.so.12.0.0	0.02	0.02	0.00	0.00	82	93	0.03	0.02	0.00	0.00
MPIDI_GPU_request_complete	libmpi.so.12.0.0	0.02	0.02	0.00	0.00	75	85	0.02	0.03	0.00	0.00
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.9.0.0	0.02	0.02	0.00	0.00	81	78	0.03	0.02	0.00	0.00
int make_bondeds_zone<false>(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*, b...	libgromacs_mpi.so.9.0.0	0.02	0.02	0.00	0.00	66	68	0.03	0.03	0.00	0.00
DftiComputeBackward	libmkl_intel_lp64.so.2	0.02	0.02	0.00	0.00	53	56	0.03	0.04	0.00	0.01
mkl_dft_def_ippsFFTInv_CCSToR_32f	libmkl_def.so.2	0.02	0.02	0.00	0.00	57	52	0.04	0.04	0.00	0.01
DftiComputeForward	libmkl_intel_lp64.so.2	0.02	0.02	0.00	0.00	48	53	0.05	0.04	0.01	0.01
do_lookup_x	ld-linux-x86-64.so.2	0.02	0.02	0.00	0.00	82	96	0.01	0.02	0.00	0.00
.omp_outlined..73	libgromacs_mpi.so.9.0.0	0.02	0.02	0.00	0.00	75	72	0.02	0.02	0.00	0.00
amd_exp	libalm.so	NA	0.04	NA	0.01	NA	114	NA	0.09	NA	0.01
MPI_Irecv	libmpi.so.12.0.0	0.02	0.02	0.00	0.00	65	83	0.03	0.02	0.00	0.00
__GI___libc_malloc	libc.so.6	0.02	0.02	0.00	0.00	69	75	0.02	0.02	0.00	0.00
MPIR_Waitall	libmpi.so.12.0.0	0.02	0.02	0.00	0.00	47	51	0.03	0.04	0.00	0.01
amd_acosf_zn4	libalm.so	NA	0.04	NA	0.00	NA	75	NA	0.05	NA	0.01
MPI_Sendrecv	libmpi.so.12.0.0	0.02	0.02	0.00	0.00	60	68	0.03	0.02	0.00	0.00
gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()	libgromacs_mpi.so.9.0.0	0.02	0.02	0.00	0.00	62	62	0.02	0.02	0.00	0.00
__kmp_join_call	libomp.so	0.02	0.02	0.00	0.00	64	76	0.02	0.02	0.00	0.00
MPIR_Request_completion_processing	libmpi.so.12.0.0	0.02	0.02	0.00	0.00	62	64	0.02	0.02	0.00	0.00
mpi_combiner_2_hcoll_combiner	libmpi.so.12.0.0	0.02	0.02	0.00	0.00	50	47	0.03	0.04	0.00	0.00
gmx_pmeonly(gmx_pme_t*, t_commrec const, t_nrnb, gmx_wallcycle, gmx_walltime_accounting, t_inputrec, PmeRunMode, bool, bool, gmx::DeviceStreamManager const*)	libgromacs_mpi.so.9.0.0	0.01	0.02	0.00	0.00	44	47	0.03	0.04	0.00	0.00
gmx::InMemoryDeserializer::doInt(int*)	libgromacs_mpi.so.9.0.0	0.02	0.02	0.00	0.00	77	81	0.00	0.00	0.00	0.00
calc_x_times_f(int, float const () [3], float const () [3], bool, float const () [3], float () [3])	libgromacs_mpi.so.9.0.0	0.01	0.02	0.00	0.00	55	63	0.02	0.02	0.00	0.00
walk_out(int, int, int, int, int, gmx::ArrayRef<int const>, gmx::ArrayRef<int const>, gmx::ListOfLists<int> const&, gmx_ga2la_t const&, bool, gmx_domdec_constraints_t, gmx_domdec_specat_comm_t, InteractionList*, std::vector<i...	libgromacs_mpi.so.9.0.0	0.01	0.02	0.00	0.00	50	55	0.03	0.04	0.00	0.01
MPIDU_Init_shm_barrier	libmpi.so.12.0.0	0.02	0.01	0.00	0.00	54	66	0.04	0.01	0.01	0.00
bond_angle(float const, float const, float const, t_pbc const, float, float, float, int, int*)	libgromacs_mpi.so.9.0.0	0.01	0.02	0.00	0.00	46	51	0.02	0.03	0.00	0.00
wrap_periodic_pmegrid(gmx_pme_t const, float)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	45	43	0.03	0.03	0.00	0.00
MPI_Recv	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	63	55	0.01	0.01	0.00	0.00
globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	53	53	0.03	0.02	0.00	0.00
mkl_dft_def_ippsFFTFwd_RToPerm_32f	libmkl_def.so.2	0.01	0.01	0.00	0.00	40	42	0.03	0.02	0.00	0.00
MPIC_Isend	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	39	43	0.02	0.03	0.00	0.00
__tls_get_addr	ld-linux-x86-64.so.2	0.01	0.01	0.00	0.00	57	51	0.02	0.01	0.00	0.00
compute_1d_small_bwd	libmkl_def.so.2	0.01	0.01	0.00	0.00	37	41	0.03	0.03	0.00	0.00
make_dd_indices(gmx_domdec_t*, int)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	46	51	0.02	0.02	0.00	0.00
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.9.0.0	0.01	0.01	0.00	0.00	61	63	0.00	0.00	0.00	0.00
compute_1d_small_fwd	libmkl_def.so.2	0.01	0.01	0.00	0.00	45	37	0.03	0.03	0.00	0.00
_dl_lookup_symbol_x	ld-linux-x86-64.so.2	0.01	0.01	0.00	0.00	55	54	0.01	0.01	0.00	0.00
__atan2f_finite	libm.so.6	0.02	NA	0.00	NA	65	NA	0.04	NA	0.01	NA
_int_free	libc.so.6	0.01	0.01	0.00	0.00	56	46	0.02	0.01	0.00	0.00
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.9.0.0	0.01	0.01	0.00	0.00	47	42	0.03	0.01	0.00	0.00
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.9.0.0	0.01	0.01	0.00	0.00	37	38	0.03	0.03	0.00	0.00
mkl_dft_def_ippsDFTInv_CToC_32fc	libmkl_def.so.2	0.01	0.01	0.00	0.00	33	39	0.03	0.04	0.00	0.01
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.9.0.0	0.01	0.01	0.00	0.00	44	42	0.02	0.02	0.00	0.00
MPIDIG_dequeue_unexp	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	55	43	0.01	0.01	0.00	0.00
mkl_dft_def_ippsDFTFwd_CToC_32fc	libmkl_def.so.2	0.01	0.01	0.00	0.00	40	37	0.03	0.02	0.00	0.00
mkl_serv_verbose_mode	libmkl_core.so.2	0.01	0.01	0.00	0.00	34	33	0.05	0.03	0.01	0.00
MPIDIG_send_long_req_target_msg_cb	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	40	47	0.02	0.01	0.00	0.00
nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>, gmx::ArrayRef<float const>, gmx::ArrayRef<long const>)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	38	42	0.02	0.02	0.00	0.00
gmx_fft_1d_real(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	35	35	0.03	0.02	0.00	0.00
mkl_dft_def_ippsDFTInv_CCSToR_32f	libmkl_def.so.2	0.01	0.01	0.00	0.00	35	34	0.02	0.03	0.00	0.00
alci::CpuIdRawData::CpuIdRawData()	libalm.so	NA	0.02	NA	0.00	NA	96	NA	0.00	NA	0.00
gmx_fft_1d(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	30	32	0.03	0.03	0.00	0.00
__GI___libc_free	libc.so.6	0.01	0.01	0.00	0.00	43	43	0.01	0.01	0.00	0.00
__kmp_invoke_microtask	libomp.so	0.01	0.01	0.00	0.00	45	40	0.02	0.01	0.00	0.00
mkl_dft_def_ippsDFTFwd_RToCCS_32f	libmkl_def.so.2	0.01	0.01	0.00	0.00	32	30	0.04	0.02	0.01	0.00
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.9.0.0	0.01	0.01	0.00	0.00	38	37	0.02	0.01	0.00	0.00
MPID_Progress_completion_count_incr	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	40	35	0.01	0.02	0.00	0.00
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.9.0.0	0.01	0.01	0.00	0.00	38	42	0.01	0.01	0.00	0.00
.omp_outlined..3#0xc01c30	libgromacs_mpi.so.9.0.0	0.02	NA	0.00	NA	47	NA	0.04	NA	0.01	NA
MPIC_Irecv	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	27	30	0.02	0.03	0.00	0.00
amd_cosf_zn4	libalm.so	NA	0.02	NA	0.00	NA	55	NA	0.03	NA	0.00
__kmp_get_global_thread_id_reg	libomp.so	0.01	0.01	0.00	0.00	38	38	0.01	0.01	0.00	0.00
mkl_dft_def_transfer_ipp_mkl_error	libmkl_def.so.2	0.01	0.01	0.00	0.00	27	33	0.03	0.02	0.00	0.00
__kmpc_for_static_init_4	libomp.so	0.01	0.01	0.00	0.00	41	30	0.01	0.02	0.00	0.00
__kmpc_barrier	libomp.so	0.01	0.01	0.00	0.00	37	31	0.02	0.02	0.00	0.00
MPIU_Selection_find_entry	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	35	30	0.02	0.02	0.00	0.00
inflate_fast	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	42	35	0.00	0.00	0.00	0.00
.omp_outlined..3#0xc03c80	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.00	NA	45	NA	0.03	NA	0.00
.omp_outlined..49	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	30	28	0.02	0.02	0.00	0.00
.omp_outlined.#0x69ee50	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.00	NA	56	NA	0.02	NA	0.00
MPIDU_Init_shm_init	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	37	36	0.00	0.00	0.00	0.00
_dl_relocate_object	ld-linux-x86-64.so.2	0.01	0.01	0.00	0.00	35	31	0.01	0.01	0.00	0.00
__kmp_push_num_threads	libomp.so	0.01	0.01	0.00	0.00	33	30	0.01	0.01	0.00	0.00
wallcycleBarrier(gmx_wallcycle*)	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	25	39	0.01	0.01	0.00	0.00
.omp_outlined..29	libgromacs_mpi.so.9.0.0	0.01	0.01	0.00	0.00	28	30	0.01	0.02	0.00	0.00
MPIDI_coll_select	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	31	25	0.02	0.01	0.00	0.00
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.9.0.0	0.00	0.01	0.00	0.00	17	22	0.02	0.03	0.00	0.00
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.9.0.0	0.00	0.01	0.00	0.00	19	35	0.01	0.01	0.00	0.00
.omp_outlined.#0x69eab0	libgromacs_mpi.so.9.0.0	0.01	NA	0.00	NA	47	NA	0.02	NA	0.00	NA
.omp_outlined.#0xbe5d40	libgromacs_mpi.so.9.0.0	0.01	NA	0.00	NA	44	NA	0.02	NA	0.00	NA
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.9.0.0	0.01	0.01	0.00	0.00	29	24	0.01	0.01	0.00	0.00
MPIDI_coll_invoke	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	24	24	0.02	0.01	0.00	0.00
MPI_Alltoall	libmpi.so.12.0.0	0.01	0.01	0.00	0.00	23	25	0.02	0.01	0.00	0.00
MPIDIG_get_context_index	libmpi.so.12.0.0	0.01	0.00	0.00	0.00	28	19	0.01	0.01	0.00	0.00
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.9.0.0	0.01	0.01	0.00	0.00	23	23	0.01	0.02	0.00	0.00
atan2f	libm.so.6	0.01	NA	0.00	NA	37	NA	0.02	NA	0.00	NA
(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.9.0.0	0.01	0.01	0.00	0.00	23	22	0.01	0.02	0.00	0.00
MPIDIG_enqueue_unexp	libmpi.so.12.0.0	0.00	0.01	0.00	0.00	24	24	0.01	0.01	0.00	0.00
dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*)	libgromacs_mpi.so.9.0.0	0.00	0.01	0.00	0.00	21	25	0.01	0.02	0.00	0.00
gmx_fft_many_1d(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.00	0.01	0.00	0.00	18	22	0.02	0.02	0.00	0.00
pme_receive_force_ener(t_forcerec, t_commrec const, gmx::ForceWithVirial, gmx_enerdata_t, bool, bool, gmx_wallcycle*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	23	22	0.01	0.02	0.00	0.00
nonbonded_verlet_t::convertCoordinates(gmx::AtomLocality, gmx::ArrayRef<gmx::BasicVector<float> const>)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	21	24	0.01	0.01	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	17	14	0.04	0.03	0.01	0.00
MPI_Send	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	19	20	0.02	0.01	0.00	0.00
.omp_outlined.#0x6c63e0	libgromacs_mpi.so.9.0.0	0.01	NA	0.00	NA	38	NA	0.02	NA	0.00	NA
gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment)	libgromacs_mpi.so.9.0.0	0.01	0.00	0.00	0.00	23	17	0.02	0.01	0.00	0.00
_dl_addr	libc.so.6	0.00	0.00	0.00	0.00	22	22	0.01	0.01	0.00	0.00
gmx::CpuInfo::detect()	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	21	22	0.01	0.01	0.00	0.00
MPIDI_CH4_check_container	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	20	19	0.01	0.02	0.00	0.00
.omp_outlined.#0xbe7d90	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.00	NA	39	NA	0.02	NA	0.00
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)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	17	19	0.02	0.01	0.00	0.00
int __kmp_barrier_template<false>(barrier_type, int, int, unsigned long, void, void ()(void, void)) [clone .isra.33]	libomp.so	0.00	0.01	0.00	0.00	15	25	0.01	0.01	0.00	0.00
.omp_outlined.#0x6c6780	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.00	NA	34	NA	0.02	NA	0.00
nral_rt(int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	20	18	0.02	0.00	0.00	0.00
dd_sendrecv2_rvec(gmx_domdec_t const, int, float () [3], int, float () [3], int, float () [3], int, float (*) [3], int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	20	19	0.01	0.00	0.00	0.00
MPIC_Waitall	libmpi.so.12.0.0	0.00	0.01	0.00	0.00	12	22	0.02	0.02	0.00	0.00
.omp_outlined.#0xb00250	libgromacs_mpi.so.9.0.0	0.01	NA	0.00	NA	38	NA	0.01	NA	0.00	NA
gmx_fft_many_1d_real(gmx_fft, gmx_fft_direction, void, void*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	21	17	0.01	0.01	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	13	22	0.02	0.01	0.00	0.00
gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	15	22	0.00	0.01	0.00	0.00
MPIR_Alltoall_intra_scattered_impl	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	17	15	0.02	0.01	0.00	0.00
__kmpc_fork_call	libomp.so	0.00	0.00	0.00	0.00	19	17	0.00	0.01	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	15	21	0.00	0.01	0.00	0.00
.omp_outlined.#0xb02120	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.00	NA	32	NA	0.02	NA	0.00
PmeAtomComm::setNumAtoms(int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	13	18	0.01	0.02	0.00	0.00
ddReopenBalanceRegionCpu(gmx_domdec_t const*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	19	14	0.01	0.00	0.00	0.00
__memcpy_avx512_unaligned_erms	libc.so.6	0.00	0.00	0.00	0.00	18	13	0.00	0.03	0.00	0.00
ListedForces::calculate(gmx_wallcycle, float const () [3], t_commrec const, gmx_multisim_t const, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_fcdata, history_t const...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	15	19	0.01	0.00	0.00	0.00
gmx_pme_send_coordinates(t_forcerec, t_commrec const, float const () [3], gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, bool, long, bool, bool, bool, bool, GpuEventSynchronizer, bool, gmx_wallcycle*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	13	20	0.00	0.01	0.00	0.00
nonbonded_verlet_t::atomdata_add_nbat_f_to_f(gmx::AtomLocality, gmx::ArrayRef<gmx::BasicVector<float> >)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	19	14	0.00	0.01	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	17	13	0.01	0.01	0.00	0.00
__kmpc_for_static_fini	libomp.so	0.00	0.00	0.00	0.00	18	13	0.01	0.00	0.00	0.00
gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const, gmx::Lincs)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	10	15	0.03	0.02	0.00	0.00
adler32	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	12	20	0.00	0.00	0.00	0.00
void ddSendrecv<gmx::BasicVector<float> >(gmx_domdec_t const*, int, int, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	20	10	0.01	0.00	0.00	0.00
std::vector<int, std::allocator<int> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	19	11	0.01	0.00	0.00	0.00
.omp_outlined.#0xbe9030	libgromacs_mpi.so.9.0.0	NA	0.01	NA	0.00	NA	26	NA	0.01	NA	0.00
nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef<gmx::BasicVector<float> >, nbnxn_atomdata_t*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	14	14	0.00	0.00	0.00	0.00
__GI___sched_setaffinity_new	libc.so.6	0.00	0.00	0.00	0.00	17	10	0.00	0.00	0.00	0.00
_dl_fixup	ld-linux-x86-64.so.2	0.00	0.00	0.00	0.00	16	9	0.01	0.01	0.00	0.00
ListedForces::haveCpuListedForces(t_fcdata const&) const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	15	12	0.00	0.00	0.00	0.00
global_stat(gmx_global_stat const&, t_commrec const, gmx_enerdata_t, float () [3], float () [3], t_inputrec const&, gmx_ekindata_t, t_vcm, gmx::ArrayRef<float>, bool, int, long, gmx::ObservablesReducer*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	11	12	0.00	0.01	0.00	0.00
gmx_omp_get_thread_num()	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	16	0.02	0.01	0.00	0.00
__kmpc_serialized_parallel	libomp.so	0.00	0.00	0.00	0.00	13	8	0.01	0.01	0.00	0.00
MPIDI_OFI_coll_select	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	9	13	0.00	0.01	0.00	0.00
impi_malloc	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	10	11	0.00	0.01	0.00	0.00
MPID_Progress_test_impl	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	10	11	0.00	0.01	0.00	0.00
strcmp	ld-linux-x86-64.so.2	0.00	0.00	0.00	0.00	14	7	0.00	0.00	0.00	0.00
gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state, gmx_wallcycle, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	12	6	0.01	0.02	0.00	0.00
nonbonded_verlet_t::isDynamicPruningStepCpu(long) const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	11	9	0.01	0.00	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	10	11	0.00	0.00	0.00	0.00
_int_malloc	libc.so.6	0.00	0.00	0.00	0.00	8	13	0.00	0.00	0.00	0.00
MPID_Progress_idle_timer_start	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	9	8	0.01	0.03	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	9	10	0.00	0.01	0.00	0.00
setupForceOutputs(ForceHelperBuffers, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	8	12	0.00	0.00	0.00	0.00
MPIU_Selection_get_storage	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	7	11	0.01	0.01	0.00	0.00
gmx_reverse_top_t::hasIntermolecularInteractions() const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	7	11	0.01	0.00	0.00	0.00
DDBalanceRegionHandler::closeRegionCpuImpl() const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	8	11	0.00	0.00	0.00	0.00
__kmp_pop_current_task_from_thread	libomp.so	0.00	0.00	0.00	0.00	10	8	0.00	0.00	0.00	0.00
gmx::InMemoryDeserializer::doUChar(unsigned char*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	9	9	0.00	0.00	0.00	0.00
do_nb_verlet(t_forcerec, interaction_const_t const, gmx_enerdata_t, gmx::StepWorkload const&, gmx::InteractionLocality, int, long, t_nrnb, gmx_wallcycle*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	8	10	0.00	0.00	0.00	0.00
acosf	libm.so.6	0.00	NA	0.00	NA	17	NA	0.00	NA	0.00	NA
MPIR_Alltoall	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	12	4	0.01	0.00	0.00	0.00
MPIR_Wait_impl	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	11	6	0.00	0.00	0.00	0.00
__vfprintf_internal	libc.so.6	0.00	0.00	0.00	0.00	2	4	0.16	0.09	0.02	0.01
check_match	ld-linux-x86-64.so.2	0.00	0.00	0.00	0.00	7	10	0.00	0.00	0.00	0.00
MPID_Progress_yield	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	6	11	0.00	0.00	0.00	0.00
__I_MPI__intel_fast_memcpy	libmpifort.so.12.0.0	0.00	0.00	0.00	0.00	9	7	0.00	0.00	0.00	0.00
__GI___printf_fp_l	libc.so.6	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
malloc_consolidate	libc.so.6	0.00	0.00	0.00	0.00	7	8	0.01	0.00	0.00	0.00
MPL_wtime_acc	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	7	8	0.01	0.00	0.00	0.00
gmx_reverse_top_t::molblockIndices() const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	10	0.00	0.00	0.00	0.00
.omp_outlined.#0xbe6fe0	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	15	NA	0.00	NA	0.00	NA
.omp_outlined.#0x5f8c30	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	13	NA	0.01	NA	0.00	NA
MPIU_Selection_set_coll_match_pattern	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	8	6	0.01	0.00	0.00	0.00
gmx::ForceProviders::calculateForces(gmx::ForceProviderInput const&, gmx::ForceProviderOutput*) const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	9	6	0.00	0.00	0.00	0.00
update_tcouple(long, t_inputrec const, t_state, gmx_ekindata_t, t_extmass const, int, gmx::ArrayRef<unsigned short const>)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	7	7	0.00	0.01	0.00	0.00
__kmp_push_current_task_to_thread	libomp.so	0.00	0.00	0.00	0.00	7	8	0.00	0.00	0.00	0.00
gmx::ImdSession::updateEnergyRecordAndSendPositionsAndEnergies(bool, long, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	7	8	0.00	0.00	0.00	0.00
dd_cycles_add(gmx_domdec_t const*, float, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	7	8	0.00	0.00	0.00	0.00
gmx::setupStepWorkload(int, gmx::ArrayRef<gmx::MtsLevel const>, long, gmx::DomainLifetimeWorkload const&, gmx::SimulationWorkload const&)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	7	8	0.00	0.00	0.00	0.00
gmx_pme_send_coeffs_coords(t_forcerec, t_commrec const, unsigned int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef&...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	9	0.00	0.00	0.00	0.00
__kmpc_for_static_init_8	libomp.so	0.00	0.00	0.00	0.00	6	9	0.00	0.00	0.00	0.00
isMainSimMainRank(gmx_multisim_t const*, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	10	0.00	0.01	0.00	0.00
.omp_outlined.#0xb47030	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	14	NA	0.01	NA	0.00
OmptReturnAddressGuard::OmptReturnAddressGuard(int, void*)	libomp.so	0.00	0.00	0.00	0.00	8	6	0.00	0.00	0.00	0.00
std::vector<gmx::BasicVector<float>, gmx::DefaultInitializationAllocator<gmx::BasicVector<float>, std::allocator<gmx::BasicVector<float> > > >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	8	6	0.00	0.00	0.00	0.00
___kmp_allocate_align(unsigned long, unsigned long)	libomp.so	0.00	0.00	0.00	0.00	7	7	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftInv_Fact4_32fc@plt	libmkl_def.so.2	0.00	0.00	0.00	0.00	6	7	0.02	0.00	0.00	0.00
clearForceBuffer(nbnxn_atomdata_t*, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	7	7	0.00	0.00	0.00	0.00
gmx_omp_nthreads_get(ModuleMultiThread)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	5	8	0.02	0.00	0.00	0.00
reset_enerdata(gmx_enerdata_t*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	8	0.00	0.00	0.00	0.00
__kmpc_global_thread_num	libomp.so	0.00	0.00	0.00	0.00	5	9	0.00	0.00	0.00	0.00
getGroupType(SimulationGroups const&, SimulationAtomGroupType, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	5	9	0.00	0.00	0.00	0.00
dd_force_flop_stop(gmx_domdec_t, t_nrnb)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	5	7	0.00	0.02	0.00	0.00
gmx::ThreadedForceBuffer<float [4]>::reduce(gmx::ForceWithShiftForces, float, gmx_grppairener_t*, gmx::ArrayRef<float>, gmx::StepWorkload const&, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	8	5	0.00	0.00	0.00	0.00
impi_reduce_local_11way	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	7	5	0.01	0.00	0.00	0.00
gmx::ImdSession::Impl::run(long, bool, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, double)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	6	0.02	0.00	0.00	0.00
_dl_runtime_resolve_xsavec	ld-linux-x86-64.so.2	0.00	0.00	0.00	0.00	7	6	0.00	0.00	0.00	0.00
__kmp_api_omp_get_thread_num	libomp.so	0.00	0.00	0.00	0.00	7	6	0.00	0.00	0.00	0.00
__GI_getenv	libc.so.6	0.00	0.00	0.00	0.00	6	7	0.00	0.00	0.00	0.00
gmx::constrain_coordinates(gmx::Constraints, bool, bool, long, t_state, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, bool, float () [3])	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	7	0.00	0.00	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	10	2	0.00	0.00	0.00	0.00
impi_free	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	6	5	0.02	0.00	0.00	0.00
ewald_charge_correction(t_commrec const, float, float, gmx::ArrayRef<double const>, float, float const () [3], float, float () [3])	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	5	7	0.00	0.00	0.00	0.00
.omp_outlined.#0x5f8fd0	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	12	NA	0.00	NA	0.00
dd_force_flop_start(gmx_domdec_t, t_nrnb)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	4	0.02	0.00	0.00	0.00
set_pbc_simd(t_pbc const, float)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	5	0.00	0.00	0.00	0.00
make_reverse_ilist(std::array<InteractionList, 94ul> const&, t_atoms const, ReverseTopOptions const&, AtomLinkRule, reverse_ilist_t)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	5	6	0.00	0.00	0.00	0.00
gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	5	6	0.00	0.00	0.00	0.00
DDBalanceRegionHandler::openRegionCpuImpl(DdAllowBalanceRegionReopen) const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	9	0.00	0.00	0.00	0.00
MPIR_SUM	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	6	3	0.00	0.02	0.00	0.00
gmx::makeConstArrayRef(std::vector<gmx::BoolType, std::allocator<gmx::BoolType> > const&)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	4	0.00	0.00	0.00	0.00
gmx::InMemoryDeserializer::doFloat(float*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	5	0.02	0.00	0.00	0.00
set_zones_size(gmx_domdec_t, float () [3], gmx_ddbox_t const*, int, int, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	6	0.00	0.00	0.00	0.00
mkl_dft_def_transfer_ipp_mkl_error@plt	libmkl_def.so.2	0.00	0.00	0.00	0.00	4	5	0.00	0.02	0.00	0.00
__strncmp_evex	libc.so.6	0.00	0.00	0.00	0.00	4	6	0.00	0.00	0.00	0.00
gmx_reverse_top_t::interactionListForMoleculeType(int) const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	9	0.00	0.00	0.00	0.00
gmx::makeMDAtoms(_IO_FILE*, gmx_mtop_t const&, t_inputrec const&, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	3	0.00	0.00	0.00	0.00
__kmpc_end_master	libomp.so	0.00	0.00	0.00	0.00	6	3	0.00	0.00	0.00	0.00
sum_ekin(t_grpopts const, gmx_ekindata_t, float*, bool, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	5	4	0.00	0.00	0.00	0.00
__strcmp_evex	libc.so.6	0.00	0.00	0.00	0.00	5	4	0.00	0.00	0.00	0.00
inputrecDynamicBox(t_inputrec const*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	5	0.00	0.00	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	4	5	0.00	0.00	0.00	0.00
gmx_parallel_3dfft_execute(gmx_parallel_3dfft, gmx_fft_direction, int, gmx_wallcycle)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	5	0.00	0.00	0.00	0.00
nrnbIndex(int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	6	0.00	0.00	0.00	0.00
gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft, int, int, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	6	0.00	0.00	0.00	0.00
nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef<gmx::BasicVector<float> >)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	6	0.00	0.00	0.00	0.00
minCellSizeForAtomDisplacement(gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef<gmx::RangePartitioning const>, float, ChanceTarget)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	7	0.00	0.00	0.00	0.00
unwrap_periodic_pmegrid(gmx_pme_t, float)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	8	0.00	0.00	0.00	0.00
.omp_outlined.#0xacfa20	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	7	NA	0.02	NA	0.00
gmx::ThreadedForceBuffer<float [4]>::setupReduction()	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	6	2	0.00	0.00	0.00	0.00
__kmpc_push_num_threads	libomp.so	0.00	0.00	0.00	0.00	6	2	0.00	0.00	0.00	0.00
unlink_chunk.constprop.0	libc.so.6	0.00	0.00	0.00	0.00	5	3	0.00	0.00	0.00	0.00
std::vector<gmx::BasicVector<float>, gmx::Allocator<gmx::BasicVector<float>, gmx::HostAllocationPolicy> >::_M_fill_insert(__gnu_cxx::__normal_iterator<gmx::BasicVector<float>*, std::vector<gmx::BasicVector<float>, ...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	4	0.00	0.00	0.00	0.00
___kmp_free	libomp.so	0.00	0.00	0.00	0.00	4	4	0.00	0.00	0.00	0.00
update_pcouple_after_coordinates(_IO_FILE, long, PressureCouplingOptions const&, long, float, int const () [3], float const () [3], float, int, gmx::ArrayRef<unsigned short const>, float const () [3], float const () [3], float const () [3],...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	4	0.00	0.00	0.00	0.00
extract_binr(t_bin, int, int, float)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	4	0.00	0.00	0.00	0.00
.omp_outlined..51	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	5	0.00	0.00	0.00	0.00
std::vector<gmx::BasicVector<float>, gmx::Allocator<gmx::BasicVector<float>, gmx::HostAllocationPolicy> >::reserve(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	4	0.00	0.02	0.00	0.00
MPIDI_GPU_request_create_hook	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	3	5	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftFwd_PrimeFact_32fc@plt	libmkl_def.so.2	0.00	0.00	0.00	0.00	2	6	0.00	0.00	0.00	0.00
mdoutf_get_tng_box_output_interval(gmx_mdoutf*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	6	0.00	0.00	0.00	0.00
gmx::CheckpointHandler::decideIfCheckpointingThisStepImpl(bool, bool, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	2	0.02	0.03	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	4	3	0.00	0.00	0.00	0.00
MPIR_T_CVAR_REGISTER_impl	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	4	3	0.00	0.00	0.00	0.00
gmx::erfinv(double)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	3	0.00	0.00	0.00	0.00
gmx::Update::finish_update(t_inputrec const&, bool, int, t_state, gmx_wallcycle, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	3	0.02	0.00	0.00	0.00
set_pbc_dd(t_pbc, PbcType, int const, bool, float const (*) [3])	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	4	0.00	0.00	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	3	4	0.00	0.00	0.00	0.00
gmx_parallel_3dfft_complex_limits(gmx_parallel_3dfft, int, int, int, int*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	4	0.00	0.00	0.00	0.00
gmx::ImdSession::run(long, bool, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, double)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	4	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftFwd_Fact4_32fc@plt	libmkl_def.so.2	0.00	0.00	0.00	0.00	2	5	0.00	0.00	0.00	0.00
.omp_outlined.#0xb45160	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	6	NA	0.00	NA	0.00	NA
.omp_outlined.#0xace4c0	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	6	NA	0.00	NA	0.00	NA
.omp_outlined..22	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	1	0.02	0.00	0.00	0.00
std::vector<int, gmx::DefaultInitializationAllocator<int, std::allocator<int> > >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	5	1	0.00	0.00	0.00	0.00
PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	2	0.00	0.00	0.00	0.00
float gmx::NormalDistribution<float>::operator()<gmx::ThreeFry2x64<64u> >(gmx::ThreeFry2x64<64u>&, gmx::NormalDistribution<float>::param_type const&)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	2	0.00	0.00	0.00	0.00
operator new(unsigned long)	libstdc++.so.6.0.29	0.00	0.00	0.00	0.00	4	2	0.00	0.00	0.00	0.00
dd_move_x_constraints(gmx_domdec_t, float const () [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	2	0.00	0.00	0.00	0.00
MPID_Progress_start	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	3	3	0.00	0.00	0.00	0.00
__strlen_evex	libc.so.6	0.00	0.00	0.00	0.00	3	3	0.00	0.00	0.00	0.00
add_binr(t_bin, int, float const)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	3	0.00	0.00	0.00	0.00
gmx::ThreadForceBuffer<float [4]>::processMask()	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	3	0.00	0.00	0.00	0.00
do_mtop(gmx::ISerializer, gmx_mtop_t, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	3	0.00	0.00	0.00	0.00
haveEnsembleTemperature(t_inputrec const&)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	4	0.00	0.00	0.00	0.00
dd_clear_local_constraint_indices(gmx_domdec_t*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	4	0.00	0.00	0.00	0.00
gmx::PaddedVector<gmx::BasicVector<float>, gmx::Allocator<gmx::BasicVector<float>, gmx::HostAllocationPolicy> >::resizeWithPadding(long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	4	0.00	0.00	0.00	0.00
dd_numHomeAtoms(gmx_domdec_t const&)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	6	NA	0.00	NA	0.00
sum_epot(gmx_grppairener_t const&, float*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	1	0.00	0.00	0.00	0.00
reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3])	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	4	1	0.00	0.00	0.00	0.00
mkl_dft_def_ownscDftInv_PrimeFact_32fc@plt	libmkl_def.so.2	0.00	0.00	0.00	0.00	3	2	0.00	0.00	0.00	0.00
dd_get_constraint_range(gmx_domdec_t const&, int, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	2	0.00	0.00	0.00	0.00
_IO_fwrite	libc.so.6	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
mkl_serv_verbose_mode@plt	libmkl_intel_lp64.so.2	0.00	0.00	0.00	0.00	3	2	0.00	0.00	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
reduce_energies_over_lists(nbnxn_atomdata_t const, int, float, float*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
DispersionCorrection::TopologyParams::TopologyParams(gmx_mtop_t const&, t_inputrec const&, bool, int, gmx::ArrayRef<float const>)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
gmx_get_stop_condition()	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
make_tric_corr_matrix(int, float const () [3], float () [3])	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const () [3], nbnxn_atomdata_t)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
low_set_ddbox(int, int, int const () [3], float const () [3], bool, gmx::ArrayRef<gmx::BasicVector<float> const>, int const, gmx_ddbox_t)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	3	0.00	0.00	0.00	0.00
hack_digit	libc.so.6	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
__kmpc_master	libomp.so	0.00	0.00	0.00	0.00	1	4	0.00	0.00	0.00	0.00
Nbnxm::GridSet::putOnGrid(float const () [3], int, float const, float const, gmx::UpdateGroupsCog const, gmx::Range<int>, float, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, nbnxn_ato...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	4	0.00	0.00	0.00	0.00
amd_cos	libalm.so	NA	0.00	NA	0.00	NA	5	NA	0.00	NA	0.00
impi_shm_heap_is_valid_pointer	libmpi.so.12.0.0	0.00	NA	0.00	NA	4	NA	0.00	NA	0.00	NA
set_dd_cell_sizes(gmx_domdec_t, gmx_ddbox_t const, bool, bool, bool, long, gmx_wallcycle*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	4	NA	0.00	NA	0.00	NA
init_forcerec(_IO_FILE, gmx::MDLogger const&, gmx::SimulationWorkload const&, t_forcerec, t_inputrec const&, gmx_mtop_t const&, t_commrec const, float () [3], char const, char const, gmx::ArrayRef<std::__cxx11::basic_string<char...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	1	0.00	0.00	0.00	0.00
Nbnxm::generateAndFill2DGrid(Nbnxm::Grid, gmx::ArrayRef<Nbnxm::GridWork>, std::vector<int, gmx::Allocator<int, gmx::HostAllocationPolicy> >, float const, float const, gmx::UpdateGroupsCog const, gmx::Range<int>, float, float, ...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	1	0.00	0.00	0.00	0.00
vrescale_tcoupl(t_inputrec const, long, gmx_ekindata_t, float, gmx::ArrayRef<double>)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	1	0.00	0.00	0.00	0.00
postProcessForceWithShiftForces(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::StepWork...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	1	0.00	0.00	0.00	0.00
do_ilists(gmx::ISerializer, std::array<InteractionList, 94ul>, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	1	0.00	0.00	0.00	0.00
vrescale_resamplekin(float, float, float, float, long, long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	3	1	0.00	0.00	0.00	0.00
gmx::InMemoryDeserializer::doReal(float*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	2	0.00	0.00	0.00	0.00
mk_mshift(_IO_FILE, t_graph, PbcType, float const () [3], float const () [3])	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
ForeignLambdaTerms::finalizePotentialContributions(gmx::EnumerationArray<FreeEnergyPerturbationCouplingType, double, (FreeEnergyPerturbationCouplingType)7> const&, gmx::ArrayRef<float const>, t_lambda const&)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	2	0.00	0.00	0.00	0.00
__kmp_invoke_microtask@plt	libomp.so	0.00	0.00	0.00	0.00	2	2	0.00	0.00	0.00	0.00
MPIR_SUM_check_dtype	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	2	2	0.00	0.00	0.00	0.00
make_tables(_IO_FILE, interaction_const_t const, char const*, float, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	3	0.00	0.00	0.00	0.00
@plt_start@	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	1	3	0.00	0.00	0.00	0.00
gmx::init_lincs(_IO_FILE, gmx_mtop_t const&, int, gmx::ArrayRef<gmx::ListOfLists<int> const>, bool, int, int, gmx::ObservablesReducerBuilder)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	3	0.00	0.00	0.00	0.00
MPID_Progress_idle_timer_stop	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	1	3	0.00	0.00	0.00	0.00
_IO_fgets	libc.so.6	0.00	0.00	0.00	0.00	1	3	0.00	0.00	0.00	0.00
gmx_reverse_top_t::hasPositionRestraints() const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	3	0.00	0.00	0.00	0.00
amd_cos_zn4	libalm.so	NA	0.00	NA	0.00	NA	4	NA	0.00	NA	0.00
amd_erf_zn4	libalm.so	NA	0.00	NA	0.00	NA	4	NA	0.00	NA	0.00
setupDynamicPairlistPruning(gmx::MDLogger const&, t_inputrec const&, gmx_mtop_t const&, float, interaction_const_t const&, PairlistParams*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00	NA
.omp_outlined.#0x66eb40	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00	NA
void gmx::internal::highBitCounter::increment<unsigned long, 2ul, 7u>(std::array<unsigned long, 2ul>*, unsigned long)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00	NA
gmx::Update::Impl::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.9.0.0	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00	NA
__strchrnul_evex	libc.so.6	0.00	NA	0.00	NA	2	NA	0.03	NA	0.00	NA
__GI___libc_read	libc.so.6	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00	NA
float gmx::GammaDistribution<float>::operator()<gmx::ThreeFry2x64<64u> >(gmx::ThreeFry2x64<64u>&, gmx::GammaDistribution<float>::param_type const&)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
MPIC_Wait	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
MPIR_Comm_create	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
gmx::Update::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector&l...	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
__mpn_mul_1	libc.so.6	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
MPIR_T_cvar_finalize	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
std::vector<Nbnxm::BoundingBox1D, std::allocator<Nbnxm::BoundingBox1D> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
gmx::StopConditionSignal::getSignal(_IO_FILE*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
mkl_dft_def_owns_cRadix4FwdNorm_32fc@plt	libmkl_def.so.2	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
__tls_get_addr@plt	libomp.so	0.00	0.00	0.00	0.00	2	1	0.00	0.00	0.00	0.00
gmx::constr_r_max(gmx::MDLogger const&, gmx_mtop_t const, t_inputrec const)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
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.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
__calloc	libc.so.6	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
gmx::(anonymous namespace)::translateCpuInfoLogicalProcessorsToMachine(std::vector<gmx::CpuInfo::LogicalProcessor, std::allocator<gmx::CpuInfo::LogicalProcessor> > const&, gmx::HardwareTopology::Machine*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
nonbonded_verlet_t::dispatchPruneKernelCpu(gmx::InteractionLocality, gmx::ArrayRef<gmx::BasicVector<float> const>) const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
MPIDI_coll_get_next_container	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
__strncpy_evex	libc.so.6	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
MPI_Allreduce	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
__vfscanf_internal	libc.so.6	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
gmx::PaddedVector<gmx::BasicVector<float>, gmx::Allocator<gmx::BasicVector<float>, gmx::AlignedAllocationPolicy> >::resizeWithPadding(long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
MPIC_Sendrecv	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
calc_temp(float, float)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
std::istream::sentry::sentry(std::istream&, bool)	libstdc++.so.6.0.29	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
___kmp_allocate	libomp.so	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
.omp_outlined..19	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	2	0.00	0.00	0.00	0.00
_IO_file_xsputn	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
amd_atan2f	libalm.so	NA	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00
amd_logf_zn4	libalm.so	NA	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00
amd_expf	libalm.so	NA	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00
_IO_getline_info	libc.so.6	NA	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00
acosf	libalm.so	NA	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00
get_nsgrid_boundaries(int, float () [3], gmx_domdec_t, gmx_ddbox_t, gmx::BasicVector<float>, gmx::BasicVector<float>, int, float () [3], float, float)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00
MPIR_Bcast_intra_tree_generic	libmpi.so.12.0.0	NA	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00
__kmp_hardware_timestamp	libomp.so	NA	0.00	NA	0.00	NA	3	NA	0.00	NA	0.00
t_state::changeNumAtoms(int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
gmx::HostAllocationPolicy::HostAllocationPolicy(gmx::PinningPolicy)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
mdoutf_get_tng_compressed_lambda_output_interval(gmx_mdoutf*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
NPT_energy(PressureCouplingOptions const&, TemperatureCoupling, gmx::ArrayRef<float const>, gmx_ekindata_t const&, bool, t_state const, t_extmass const)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
cbrtf	libm.so.6	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
gmx::Constraints::Impl::setConstraints(gmx_localtop_t*, int, int, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, bool, float, gmx::ArrayRef<unsigned short const>)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
gmx_sumd(unsigned long, double, t_commrec const)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
pme_loadbal_do(pme_load_balancing_t, t_commrec, _IO_FILE, _IO_FILE, gmx::MDLogger const&, t_inputrec const&, t_forcerec, float const () [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx_wallcycle, long, long, bool, bool)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
MPIDIU_create_buf_pool	libmpi.so.12.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
MPIR_Reduce_local	libmpi.so.12.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
gmx_pme_send_parameters(t_commrec const*, interaction_const_t const&, bool, bool, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, ...	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
numPbcDimensions(PbcType)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
mkl_serv_get_ncorespercpu	libmkl_sequential.so.2	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
dd_check_ftype(int, ReverseTopOptions const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
dl_open_worker_begin	ld-linux-x86-64.so.2	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00	NA
inflate_table	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
accumulatePotentialEnergies(gmx_enerdata_t, gmx::ArrayRef<float const>, t_lambda const)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
std::basic_istream<char, std::char_traits<char> >& std::operator>><char, std::char_traits<char>, std::allocator<char> >(std::basic_istream<char, std::char_traits<char> >&, std::__cxx11::basic_string&l...	libstdc++.so.6.0.29	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
_dl_map_object_from_fd	ld-linux-x86-64.so.2	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
gmx::mdAlgorithmsSetupAtomData(t_commrec const, t_inputrec const&, gmx_mtop_t const&, gmx_localtop_t, t_forcerec, gmx::ForceBuffers, gmx::MDAtoms, gmx::Constraints, gmx::VirtualSitesHandler, gmx_shellfc_t)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
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], float (*) [3])	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
gmx_mtop_ftype_count(gmx_mtop_t const&, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
makeNonBondedParameterLists(int, gmx::ArrayRef<t_iparams const>, bool)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
integratorHasConservedEnergyQuantity(t_inputrec const*)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
InteractionDefinitions::clear()	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
gmx_mtop_atomloop_block_next(gmx_mtop_atomloop_block, t_atom const, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
MPIDI_POSIX_coll_select	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
getVdwKernelType(Nbnxm::KernelType, LJCombinationRule, VanDerWaalsType, InteractionModifiers, LongRangeVdW)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
__memchr_evex	libc.so.6	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
Nbnxm::Grid::setDimensions(int, int, gmx::BasicVector<float>, gmx::BasicVector<float>, float*, float, bool, gmx::PinningPolicy)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
_IO_no_init	libc.so.6	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
gmx::Update::deform() const	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
MPIR_Bcast	libmpi.so.12.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
forcerec_set_ranges(t_forcerec*, int, int, int)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
std::vector<float, gmx::DefaultInitializationAllocator<float, std::allocator<float> > >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
std::vector<float, gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	0.00	0.00	0.00	1	1	0.00	0.00	0.00	0.00
MPIU_Selection_get_container	libmpi.so.12.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
Nbnxm::GridSet::setLocalAtomOrder()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
gmx::MDAtoms::resizeChargeA(int)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
_IO_str_init_static_internal	libc.so.6	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
void ddSendrecv<int>(gmx_domdec_t const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
__mmap	ld-linux-x86-64.so.2	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
gmx::check_grid_jump(long, gmx_domdec_t const, float, gmx_ddbox_t const, bool)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
calc_vir(int, float const () [3], float const () [3], float () [3], bool, float const () [3])	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
.omp_outlined.#0x66eee0	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
std::_Rb_tree_insert_and_rebalance(bool, std::_Rb_tree_node_base, std::_Rb_tree_node_base, std::_Rb_tree_node_base&)	libstdc++.so.6.0.29	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
msort_with_tmp.part.0	libc.so.6	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
get_pme_ener_vir_q(pme_solve_work_t, int, PmeOutput)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
std::vector<gmx::BasicVector<float>, gmx::Allocator<gmx::BasicVector<float>, gmx::AlignedAllocationPolicy> >::reserve(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
amd_cbrtf_zn4	libalm.so	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
gmx_reverse_top_t::hasInterAtomicInteractions() const	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
mkl_dft_def_ownscDftFwd_Prime8_32fc@plt	libmkl_def.so.2	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
malloc@plt	libomp.so	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
__kmp_resume_if_soft_paused	libomp.so	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
gmx::ObservablesReducer::communicationBuffer(bool)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
MPIR_T_cvar_init	libmpi.so.12.0.0	NA	0.00	NA	0.00	NA	2	NA	0.00	NA	0.00
generateEwaldCorrectionTables(int, double, float, double (*)(double, double))	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0x5f4ef0	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Localcopy	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Datatype_init_predefined	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Reduce_intra_redscat_gather	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_dl_check_map_versions	ld-linux-x86-64.so.2	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::LocalAtomSetManager::setIndicesInDomainDecomposition(gmx_ga2la_t const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__GI_____strtol_l_internal	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
done_block(t_block*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPID_Comm_commit_pre_hook	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
operator delete(void*)	libstdc++.so.6.0.29	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__GI_____strtoul_l_internal	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPII_Conbc_init	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::setupDomainLifetimeWorkload(t_inputrec const&, t_forcerec const&, pull_t const, gmx_edsam const, t_mdatoms const&, gmx::SimulationWorkload const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Group_translate_ranks_impl	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__kmpc_serialized_parallel@plt	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
nbnxn_put_on_grid_nonlocal(nonbonded_verlet_t, gmx_domdec_zones_t const, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIDI_CH4_mpi_comm_collective_selection_finalize	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Waitall_impl	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::LocalTopologyChecker::scheduleCheckOfLocalTopology(int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__kmp_x2apicid_get_levels(int, cpuid_level_info_t*, unsigned long long)	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Gather	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::Constraints::Impl::Impl(gmx_mtop_t const&, t_inputrec const&, pull_t, _IO_FILE, t_commrec const, bool, gmx_multisim_t const, t_nrnb, gmx_wallcycle, bool, gmx::ObservablesReducerBuilder*, int, int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
.omp_outlined.#0x6ad440	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
update_pcouple_before_coordinates(gmx::MDLogger const&, long, PressureCouplingOptions const&, float const () [3], float, t_state, gmx::MultiDimArray<std::array<float, 9ul>, gmx::extents<3l, 3l>, gmx::layout_right>*, gmx::MultiDi...	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::hasFlexibleConstraints(gmx_moltype_t const&, gmx::ArrayRef<t_iparams const>)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
nonbonded_verlet_t::putAtomsOnGrid(float const () [3], int, float const, float const, gmx::UpdateGroupsCog const, gmx::Range<int>, float, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_GLOBAL__sub_I_keyvaluetreeserializer.cpp	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::GammaDistribution<float>::param_type::param_type(float, float)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx_reverse_top_t::options() const	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__GI_strtoul	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::vector<float, gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::reserve(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIC_Recv	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::makeUpdateGroupingsPerMoleculeType[abi:cxx11](gmx_mtop_t const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__GI___open64_nocancel	ld-linux-x86-64.so.2	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Comm_group_impl	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
pressureError(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const&, t_inputrec const&, float, std::pair<pot_derivatives_t, pot_derivatives_t> const&, bool, int, float, VerletbufListSetup const&, int, float)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::OptionStorageTemplate<int>::OptionStorageTemplate<gmx::IntegerOption>(gmx::OptionTemplate<int, gmx::IntegerOption> const&, gmx::FlagsTemplate<gmx::OptionFlag>)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
calc_ewaldcoeff_q(float, float)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
dd_natoms_mdatoms(gmx_domdec_t const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_IO_switch_to_get_mode	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::EnergyOutput::EnergyOutput(ener_file, gmx_mtop_t const&, t_inputrec const&, pull_t const, _IO_FILE*, bool, gmx::StartingBehavior, bool, gmx::MDModulesNotifiers const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::StringOptionInfo::StringOptionInfo(gmx::StringOptionStorage*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
void gmx::internal::highBitCounter::increment<unsigned long, 2ul, 64u>(std::array<unsigned long, 2ul>*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::vector<gmx::HashedMap<gmx_ga2la_t::Entry>::hashEntry, std::allocator<gmx::HashedMap<gmx_ga2la_t::Entry>::hashEntry> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
.plt.sec@start	libstdc++.so.6.0.29	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__kmp_query_cpuid	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::OptionValueStorePlain<float>::~OptionValueStorePlain()	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Get_contextid_sparse_group	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::InMemoryDeserializer::Impl::doString(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
extract_binr(t_bin*, int, gmx::ArrayRef<float>)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::ForceProviders::ForceProviders()	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >* std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_strin...	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
set_ddbox(gmx_domdec_t const&, bool, float const () [3], bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx_ddbox_t)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
maxReferenceTemperature(t_inputrec const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::vector<int, gmx::Allocator<int, gmx::HostAllocationPolicy> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::__detail::_Prime_rehash_policy::_M_need_rehash(unsigned long, unsigned long, unsigned long) const	libstdc++.so.6.0.29	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx_domdec_comm_t::~gmx_domdec_comm_t()	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::InMemoryDeserializer::doUShort(unsigned short*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> >::_M_fill_insert(__gnu_cxx::__normal_iterator<float*, std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> > >, unsigned long, float const&am...	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
IListRange::IListRange(gmx_mtop_t const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__GI___fstat64	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__kmp_env_initialize(char const*)	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::CommandLineModuleManager::addModuleGroup(char const*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::unique_ptr<gmx...	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::unique_ptr<gmx...	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_IO_sputbackc	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Scan_intra_recursive_doubling	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIDI_SHMGR_Release_bcast	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_dl_setup_hash	ld-linux-x86-64.so.2	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_BAND	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
inputrecNvtTrotter(t_inputrec const*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::vector<nbnxn_cj_t, gmx::DefaultInitializationAllocator<nbnxn_cj_t, std::allocator<nbnxn_cj_t> > >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Allreduce	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
mdoutf_get_fp_ene(gmx_mdoutf*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
add_ebin(t_ebin, int, int, float const, bool)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__mpn_extract_double	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__mpn_lshift	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::InMemorySerializer::doInt(int*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::InMemorySerializer::doUChar(unsigned char*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_IO_fprintf	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_IO_padn	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
read_int	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::EnergyOutput::printStepToEnergyFile(ener_file, bool, bool, bool, _IO_FILE, long, double, t_fcdata, gmx::Awh)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
I_MPI_memcpy_nontemporal_multipage_sse	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
add_ebin_indexed(t_ebin*, int, gmx::ArrayRef<bool>, gmx::ArrayRef<float const>, bool)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
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.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_T_PVAR_REGISTER_impl	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::Mdrunner::mdrunner()	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
reset_bin(t_bin*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::unique_ptr<t_mde_delta_h_coll, std::default_delete<t_mde_delta_h_coll> >::~unique_ptr()	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
.plt.sec@start	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__GI___libc_open	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
max_cutoff2(PbcType, float const (*) [3])	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_GLOBAL__sub_I_fast_mem_ops.c	libintlc.so.5	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPIR_Dataloop_free	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__memcmp_evex_movbe	libc.so.6	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
__kmpc_end_reduce_nowait	libomp.so	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
dd_dlb_get_should_check_whether_to_turn_dlb_on(gmx_domdec_t*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPID_Progress_end	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
get_symtab_handle(t_symtab*, int)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
MPI_Comm_rank	libmpi.so.12.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
std::ios_base::Init::~Init()	libstdc++.so.6.0.29	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
getNumPmeDomains(gmx_domdec_t const*)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_GLOBAL__sub_I_readir.cpp	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
gmx::ThreeFry2x64General<20u, 64u>::generateBlock(std::array<unsigned long, 2ul> const&, std::array<unsigned long, 2ul> const&)	libgromacs_mpi.so.9.0.0	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00	NA
_Init_MKL_Loader	libmkl_intel_lp64.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
___vsnprintf	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
dd_collect_vec(gmx_domdec_t*, int, int, gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::EnergyDriftTracker::addPoint(double, double)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
mkl_dft_def_owns_cRealRecombine_32f@plt	libmkl_def.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__kmp_stg_print_allocator(kmp_str_buf, char const, void*)	libomp.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<int, gmx::Allocator<int, gmx::HostAllocationPolicy> >::vector(std::vector<int, gmx::Allocator<int, gmx::HostAllocationPolicy> >&&, gmx::Allocator<int, gmx::HostAllocationPolicy> const&, std::integral_co...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, gmx::KeyValueTreeValue...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
_IO_link_in	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx_ekindata_t::gmx_ekindata_t(gmx::ArrayRef<float const>, EnsembleTemperatureSetting, float, bool, float, int)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
opt2fn(char const, int, t_filenm const)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
dd_constraints_nlocalatoms(gmx_domdec_t const*)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<gmx::HardwareTopology::Core, std::allocator<gmx::HardwareTopology::Core> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> >::reserve(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__kmp_itt_init_ittlib	libomp.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx_hw_info_t::~gmx_hw_info_t()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::SelectionParserSymbolIterator::operator++()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<ParticleType, std::allocator<ParticleType> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
mkl_serv_strncpy_s@plt	libmkl_sequential.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
amd_ref_nextafterf	libalm.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
_GLOBAL__sub_I_locale_inst.cc	libarcher.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__kmp_barrier	libomp.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
amd_sinf	libalm.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::print_dd_statistics(t_commrec const, t_inputrec const&, _IO_FILE)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::SimulationSignaller::finalizeSignals()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__GI___libc_write	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
calc_pres(PbcType, int, float const () [3], float const () [3], float const () [3], float () [3])	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__kmp_internal_end()	libomp.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
kmp_topology_t::_gather_enumeration_information()	libomp.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
numa_bitmask_weight	libnuma.so.1.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::_Rb_tree<unsigned char, std::pair<unsigned char const, void ()(gmx::KeyValueTreeValueBuilder, gmx::ISerializer)>, std::_Select1st<std::pair<unsigned char const, void ()(gmx::KeyValueTreeValueBuilder, gmx::ISerializer)> >, st...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
ListedForces::setup(InteractionDefinitions const&, int, bool)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__strcasestr	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::nonbondedMtsFactor(t_inputrec const&)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<int, gmx::Allocator<int, gmx::AlignedAllocationPolicy> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::computeFepPeriod(t_inputrec const&, ReplicaExchangeParameters const&)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::_Rb_tree<int, std::pair<int const, int>, std::_Select1st<std::pair<int const, int> >, std::less<int>, std::allocator<std::pair<int const, int> > >::_M_erase(std::_Rb_tree_node<std::pair<int const, int>...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<nbnxn_ci_t, gmx::DefaultInitializationAllocator<nbnxn_ci_t, std::allocator<nbnxn_ci_t> > >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
mkl_dft_def_ippsFFTFwd_RToPerm_32f@plt	libmkl_def.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
numa_bitmask_clearall	libnuma.so.1.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
memset	ld-linux-x86-64.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
add_binr(t_bin*, gmx::ArrayRef<float const>)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
MPI_Gather	libmpi.so.12.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__GI___pthread_mutex_lock	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::unique_ptr<gmx...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<Nbnxm::BoundingBox, gmx::Allocator<Nbnxm::BoundingBox, gmx::AlignedAllocationPolicy> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
nbnxn_atomdata_t::resizeCoordinateBuffer(int)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
MPIDI_SHMGR_build_comm_map	libmpi.so.12.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__kmp_stg_parse(char const, char const) [clone .part.12]	libomp.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<gmx::BasicVector<float>, gmx::Allocator<gmx::BasicVector<float>, gmx::HostAllocationPolicy> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
_dl_name_match_p	ld-linux-x86-64.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::_Rb_tree_decrement(std::_Rb_tree_node_base*)	libstdc++.so.6.0.29	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
MPID_Comm_get_lpid	libmpi.so.12.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
_dl_map_object	ld-linux-x86-64.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<float, std::allocator<float> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
increaseNstlist(_IO_FILE, t_commrec, t_inputrec, int, gmx_mtop_t const, float const (*) [3], float, bool, gmx::CpuInfo const&)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
nonbonded_verlet_t::constructPairlist(gmx::InteractionLocality, gmx::ListOfLists<int> const&, long, t_nrnb*) const	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::QMMMOptions::active() const	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
___dlopen	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<gmx::BasicVector<float>, std::allocator<gmx::BasicVector<float> > >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
nbnxn_atomdata_t::resizeForceBuffers()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, gmx::IHelpTopic const*...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
clear_dd_cycle_counts(gmx_domdec_t*)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::log2I(int)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::ISerializer::doUCharArray(unsigned char*, int)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<gmx::BasicVector<int>, gmx::DefaultInitializationAllocator<gmx::BasicVector<int>, std::allocator<gmx::BasicVector<int> > > >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
mkl_serv_free_buffers	libmkl_core.so.2	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::CommandLineModuleGroupData::addModule(char const, char const)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
CpuPpLongRangeNonbondeds::updateAfterPartition(t_mdatoms const&)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
__GI___getdents64	libc.so.6	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
inputrecFrozenAtoms(t_inputrec const*)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
void std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >::_M_realloc...	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
gmx::SimulationSignaller::getCommunicationBuffer()	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
amd_log_zn4	libalm.so	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
set_dhdl_output(gmx_enerdata_t*, FreeEnergyPerturbationCouplingType, t_lambda const&)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
do_inputrec(gmx::ISerializer, t_inputrec, int)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00
std::vector<float, gmx::Allocator<float, gmx::HostAllocationPolicy> >::_M_default_append(unsigned long)	libgromacs_mpi.so.9.0.0	NA	0.00	NA	0.00	NA	1	NA	0.00	NA	0.00

	OV1_ZEN4_10K_MPI_scal	OV1_ZEN4_10K_MPI_scal_AMD_libm
Uncheck all modules
libgromacs_mpi.so.9.0.0	48.263527377654 %	47.125213310516 %
libmpi.so.12.0.0	33.126386817952 %	33.151920018922 %
libm.so.6	16.154106096103 %	8.6065233489499 %
libmkl_def.so.2	1.9109765224275 %	1.945566850176 %
libc.so.6	0.19471188940224 %	0.18777649036201 %
libomp.so	0.17244851123542 %	0.16324059317412 %
ld-linux-x86-64.so.2	0.061909621566883 %	0.057955405136454 %
libmkl_intel_lp64.so.2	0.040816986816935 %	0.044239336188184 %
libmpifort.so.12.0.0	0.035153471631929 %	0.039796675555409 %
libmkl_core.so.2	0.011131879873574 %	0.0094660371541977 %
libstdc++.so.6.0.29	0.0019529919081833 %	0.00096591615874786 %
libmkl_sequential.so.2	0.00039057750836946 %
libintlc.so.5	0.00019528409757186 %
libnuma.so.1.0.0
libalm.so
libarcher.so

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