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Global Metrics

Metricr0r1
Total Time (s)374.98357.83
Profiled Time (s)374.74357.55
Time in analyzed loops (%)93.491.5
Time in analyzed innermost loops (%)85.887.2
Time in user code (%)95.295.0
Compilation Options Score (%)100100
Perfect Flow Complexity1.031.04
Array Access Efficiency (%)Not AvailableNot Available
GFLOPS0.00.0
Perfect OpenMP + MPI + Pthread1.001.00
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.001.00
No Scalar IntegerPotential Speedup1.171.19
Nb Loops to get 80%1413
FP VectorisedPotential Speedup1.611.70
Nb Loops to get 80%1314
Fully VectorisedPotential Speedup1.671.80
Nb Loops to get 80%1516
Only FP ArithmeticPotential Speedup1.751.70
Nb Loops to get 80%1515

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If Only FP Arithmetic

Loop Based Profiles

Innermost / Single Loops

Inbetween Loops

Outermost Loops

Cumulated Coverage With All Loops

Innermost Loop Based Profiles

Coverage

Count

Application Categorization

Time

Coverage

Compilation Options

Source ObjectIssue
▼libgromacs_mpi.so.7–
▼lincs.cpp–
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▼pbc.cpp–
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▼fft5d.cpp–
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▼kernel_prune.cpp–
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▼impl_arm_sve_util_float.h–
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▼redistribute.cpp–
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▼threaded_force_buffer.cpp–
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▼pme_gather.cpp–
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▼pme_grid.cpp–
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▼localtopology.cpp–
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▼pme_spread.cpp–
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▼pme_solve.cpp–
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▼kernel_outer.h–
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▼vec.h–
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▼manage_threading.cpp–
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▼calc_verletbuf.cpp–
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▼settle.cpp–
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▼atomdata.cpp–
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▼vcm.cpp–
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▼pairs.cpp–
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▼pairlist.cpp–
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▼sim_util.cpp–
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▼grid.cpp–
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▼md_support.cpp–
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▼update.cpp–
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▼domdec_constraints.cpp–
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▼partition.cpp–
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▼mdatoms.cpp–
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▼bonded.cpp–
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Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Experiment Summaries

r0r1
Application/home/eoseret/GROMACS/build/gcc_2/bin/gmx_mpi/home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi
Timestamp2023-08-08 09:21:482023-07-28 16:26:41
Experiment TypeMPI; same as r0
Machineip-172-31-47-199same as r0
Architectureaarch64same as r0
Micro ArchitectureARM_NEOVERSE_V1same as r0
Model Name
Cache Size
Number of Cores
Maximal Frequency0 GHzsame as r0
OS VersionLinux 5.15.0-1039-aws #44~20.04.1-Ubuntu SMP Thu Jun 22 12:21:08 UTC 2023same as r0
Architecture used during static analysisaarch64same as r0
Micro Architecture used during static analysisARM_NEOVERSE_V1same as r0
Compilation Options
libgromacs_mpi.so.7: GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protector-strong -fstack-clash-protection
libgromacs_mpi.so.7: Arm C/C++/Fortran Compiler version 22.1 (build number 12) (based on LLVM 13.0.1) /opt/arm/arm-linux-compiler-22.1_Generic-AArch64_Ubuntu-20.04_aarch64-linux/llvm-bin/clang-13 --driver-mode=g++ -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/build/armclang_2/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src -I /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include -I /home/eoseret/GROMACS/build/armclang_2/api/legacy/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/analysisdata/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/applied_forces/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/commandline/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/compat/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/coordinateio/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/correlationfunctions/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/essentialdynamics/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fileio/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/gmxana/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/gmxlib/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/gmxpreprocess/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/gpu_utils/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/hardware/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/imd/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/linearalgebra/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/math/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdrun/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdrunutility/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdspan/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mimic/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/modularsimulator/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/onlinehelp/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/options/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/pbcutil/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/pulling/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/random/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/restraint/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/selection/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/statistics/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/swap/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/tables/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/taskassignment/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/timing/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/tools/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/topology/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/trajectory/include -I /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/trajectoryanalysis/include -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external/thread_mpi/include -isystem /usr/lib/aarch64-linux-gnu/openmpi/include/openmpi -isystem /usr/lib/aarch64-linux-gnu/openmpi/include -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external -isystem /opt/arm/armpl-22.1.0_AArch64_Ubuntu-20.04_arm-linux-compiler_aarch64-linux/include -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external/tng_io/include -isystem /home/eoseret/GROMACS/build/armclang_2/tng/include -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external/lmfit -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external/muparser/include -g -grecord-command-line -fno-omit-frame-pointer -nopie -fcf-protection=none -O3 -D NDEBUG -fPIC -march=armv8.2-a+sve -msve-vector-bits=256 -pthread -Wno-reserved-identifier -Wno-missing-field-initializers -Weverything -Wno-c++98-compat -Wno-c++98-compat-pedantic -Wno-source-uses-openmp -Wno-c++17-extensions -Wno-documentation-unknown-command -Wno-covered-switch-default -Wno-switch-enum -Wno-extra-semi-stmt -Wno-weak-vtables -Wno-shadow -Wno-padded -Wno-reserved-id-macro -Wno-double-promotion -Wno-exit-time-destructors -Wno-global-constructors -Wno-documentation -Wno-format-nonliteral -Wno-used-but-marked-unused -Wno-float-equal -Wno-conditional-uninitialized -Wno-conversion -Wno-disabled-macro-expansion -Wno-unused-macros -fopenmp=libomp -std=c++17 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp
Number of processes observed1same as r0
Number of threads observed1same as r0
Frequency DriverNAsame as r0
Frequency GovernorNAsame as r0
Huge Pagesmadvisesame as r0
Hyperthreadingoffsame as r0
Number of sockets1same as r0
Number of cores per socket64same as r0
MAQAO version2.17.8same as r0
MAQAO buildBuild information not availablesame as r0
CommentsGNU g++ 12.2.0 (SIMD=SVE), AWS G3 (Neoverse V1), 2000 steps, single coreARM-clang 22.1 (SIMD=SVE), AWS G3 (Neoverse V1), 2000 steps, single core
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