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Total Time (s) | 49.25 | |
Profiled Time (s) | 45.03 | |
Time in analyzed loops (%) | 87.3 | |
Time in analyzed innermost loops (%) | 82.1 | |
Time in user code (%) | 91.1 | |
Compilation Options Score (%) | 100 | |
Perfect Flow Complexity | 1.03 | |
Array Access Efficiency (%) | Not Available | |
GFLOPS | 0.0 | |
Perfect OpenMP + MPI + Pthread | 1.02 | |
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution | 1.13 | |
No Scalar Integer | Potential Speedup | 1.19 | |
Nb Loops to get 80% | 18 | |
FP Vectorised | Potential Speedup | 1.68 | |
Nb Loops to get 80% | 20 | |
Fully Vectorised | Potential Speedup | 1.83 | |
Nb Loops to get 80% | 24 | |
FP Arithmetic Only | Potential Speedup | 1.66 | |
Nb Loops to get 80% | 21 | |
OpenMP perfectly balanced | Potential Speedup | 1.09 | |
Nb Loops to get 80% | 8 | |
Source Object | Issue |
▼libgromacs_mpi.so.7– | |
○fft5d.cpp | |
○threaded_force_buffer.cpp | |
○kernel_ElecEw_VdwLJCombLB_F.cpp | |
○pme_gather.cpp | |
○calcvir.cpp | |
○partition.cpp | |
○manage_threading.cpp | |
○kernel_prune.cpp | |
○pbc_simd.cpp | |
○pairs.cpp | |
○pairlist.cpp | |
○update.cpp | |
○md_support.cpp | |
○pme.cpp | |
○kernel_common.cpp | |
○mdatoms.cpp | |
○lincs.cpp | |
○pbc.cpp | |
○pme_grid.cpp | |
○localtopology.cpp | |
○kerneldispatch.cpp | |
○pme_solve.cpp | |
○pme_spread.cpp | |
○calc_verletbuf.cpp | |
○fft_fftw3.cpp | |
○bonded.cpp | |
○vector.tcc | |
○sim_util.cpp | |
○grid.cpp | |
○kernel_ElecEw_VdwLJCombLB_VF.cpp | |
○redistribute.cpp | |
○domdec_constraints.cpp | |
○settle.cpp | |
○atomdata.cpp | |
○listed_forces.cpp | |
Application | /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi | | |
Timestamp | 2023-07-28 16:20:35 |
Universal Timestamp | 1690561235 |
Number of processes observed | 1 |
Number of threads observed | 52 |
Experiment Type | MPI; OpenMP; | | |
Machine | ip-172-31-47-199 | | |
Architecture | aarch64 |
Micro Architecture | ARM_NEOVERSE_V1 |
OS Version | Linux 5.15.0-1039-aws #44~20.04.1-Ubuntu SMP Thu Jun 22 12:21:08 UTC 2023 | | |
Architecture used during static analysis | aarch64 |
Micro Architecture used during static analysis | ARM_NEOVERSE_V1 |
Frequency Driver | NA |
Frequency Governor | NA |
Huge Pages | madvise |
Hyperthreading | off |
Number of sockets | 1 |
Number of cores per socket | 64 |
Compilation Options | 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 | | |
Comments | ARM-clang 22.1 (SIMD=SVE), AWS G3 (Neoverse V1), 10000 steps, 52 cores | | |
Dataset | |
Run Command | <executable> mdrun -s ion_channel.tpr -nsteps 10000 -pin on -deffnm armclang |
MPI Command | mpirun -n <number_processes> --bind-to core |
Number Processes | 1 |
Number Nodes | 1 |
Number Processes per Nodes | 1 |
Filter | Not Used |
Profile Start | Not Used |
Maximal Path Number | 4 |