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Global Metrics

Metricr0r1r2r3r4r5r6
Total Time (s)2.18 E31.11 E3573.98301.01161.6296.9954.51
Profiled Time (s)2.18 E31.11 E3569.08296.98157.9695.3953.09
Time in analyzed loops (%)93.792.891.389.985.372.467.8
Time in analyzed innermost loops (%)90.289.387.786.281.769.364.6
Time in user code (%)00.481.842.836.4820.624.3
Compilation Options Score (%)66.766.766.766.766.766.766.7
Perfect Flow Complexity1.011.011.011.011.001.001.00
Array Access Efficiency (%)Not AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot Available
Perfect OpenMP + MPI + Pthread1.001.001.001.001.011.001.01
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.001.001.001.001.011.011.02
No Scalar IntegerPotential Speedup1.031.031.041.041.031.031.03
Nb Loops to get 80%10131314141415
FP VectorisedPotential Speedup1.481.471.461.451.421.331.30
Nb Loops to get 80%4444444
Fully VectorisedPotential Speedup1.921.901.871.841.761.581.52
Nb Loops to get 80%11121212121111
Only FP ArithmeticPotential Speedup1.321.321.311.311.291.241.22
Nb Loops to get 80%11111212121212
Scalability - Gap1.001.021.051.111.191.421.60

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If Only FP Arithmetic

Scalability Speedup

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.7.0.0–
▼lincs.cpp–
○-march=(target) is missing.
▼pbc.cpp–
○-march=(target) is missing.
▼domdec.cpp–
○-march=(target) is missing.
▼pme_redistribute.cpp–
○-march=(target) is missing.
▼fft5d.cpp–
○-march=(target) is missing.
▼calc_verletbuf.cpp–
○-march=(target) is missing.
▼atomdata.cpp–
○-march=(target) is missing.
▼pme_pp.cpp–
○-march=(target) is missing.
▼threaded_force_buffer.cpp–
○-march=(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○-march=(target) is missing.
▼pme_grid.cpp–
○-march=(target) is missing.
▼localtopology.cpp–
○-march=(target) is missing.
▼calcvir.cpp–
○-march=(target) is missing.
▼pme_solve.cpp–
○-march=(target) is missing.
▼pme_spread.cpp–
○-march=(target) is missing.
▼pairs.cpp–
○-march=(target) is missing.
▼manage_threading.cpp–
○-march=(target) is missing.
▼kernel_prune.cpp–
○-march=(target) is missing.
▼partition.cpp–
○-march=(target) is missing.
▼redistribute.cpp–
○-march=(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○-march=(target) is missing.
▼bonded.cpp–
○-march=(target) is missing.
▼pairlist.cpp–
○-march=(target) is missing.
▼sim_util.cpp–
○-march=(target) is missing.
▼grid.cpp–
○-march=(target) is missing.
▼md_support.cpp–
○-march=(target) is missing.
▼update.cpp–
○-march=(target) is missing.
▼domdec_constraints.cpp–
○-march=(target) is missing.
▼settle.cpp–
○-march=(target) is missing.
▼mdatoms.cpp–
○-march=(target) is missing.
▼pme_gather.cpp–
○-march=(target) is missing.

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Experiment Summaries

r0r1r2r3r4r5r6
Application/home/eoseret/GROMACS/build/armclang_1/bin/gmx_mpisame as r0same as r0same as r0same as r0same as r0same as r0
Timestamp2023-03-03 19:38:57same as r0same as r0same as r0same as r0same as r0same as r0
Experiment TypeMPI; same as r0same as r0same as r0same as r0same as r0same as r0
Machineip-172-31-8-114same as r0same as r0same as r0same as r0same as r0same as r0
Architecturearm64same as r0same as r0same as r0same as r0same as r0same as r0
Micro ArchitectureARM_NEOVERSE_V1same as r0same as r0same as r0same as r0same as r0same as r0
Model Name
Cache Size
Number of Cores
Maximal Frequency0 GHzsame as r0same as r0same as r0same as r0same as r0same as r0
OS VersionLinux 5.15.0-1030-aws #34~20.04.1-Ubuntu SMP Tue Jan 24 15:16:39 UTC 2023same as r0same as r0same as r0same as r0same as r0same as r0
Architecture used during static analysisarm64same as r0same as r0same as r0same as r0same as r0same as r0
Micro Architecture used during static analysisARM_NEOVERSE_V1same as r0same as r0same as r0same as r0same as r0same as r0
Compilation Options
libgromacs_mpi.so.7.0.0: 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_1/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_1/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_1/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 -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 		same as r0same as r0same as r0same as r0same as r0same as r0
Number of processes observed1248163264
Number of threads observed1248163264
MAQAO version2.16.3same as r0same as r0same as r0same as r0same as r0same as r0
MAQAO buildBuild information not availablesame as r0same as r0same as r0same as r0same as r0same as r0
CommentsARM-clang 22.1 (SIMD=Neon), AWS G3 (Neoverse V1), scalabilitysame as r0same as r0same as r0same as r0same as r0same as r0
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