options

Help is available by moving the cursor above any symbol or by checking MAQAO website.

Global Metrics

Metricr0r1r2
Total Time (s)325.09291.71357.83
Profiled Time (s)323.46290.30357.55
Time in analyzed loops (%)93.592.091.5
Time in analyzed innermost loops (%)78.983.087.2
Time in user code (%)95.294.095.0
Compilation Options Score (%)98.265.8100
Perfect Flow Complexity1.011.011.04
Array Access Efficiency (%)38.950.5Not Available
GFLOPS27.82845.1290.0
Perfect OpenMP + MPI + Pthread1.001.001.00
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.001.001.00
No Scalar IntegerPotential Speedup1.081.051.19
Nb Loops to get 80%11813
FP VectorisedPotential Speedup1.061.051.70
Nb Loops to get 80%8814
Fully VectorisedPotential Speedup1.401.141.80
Nb Loops to get 80%152116
Only FP ArithmeticPotential Speedup1.611.121.70
Nb Loops to get 80%171715

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
gmx_mpi
-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)
libgromacs_mpi.so.7
fft5d.cpp
threaded_force_buffer.cpp
kernel_ElecEw_VdwLJCombLB_F.cpp
stl_vector.h
pme_gather.cpp
calcvir.cpp
partition.cpp
kernel_ElecEw_VdwLJCombLB_VF.cpp
kernel_prune.cpp
reversetopology.cpp
vcm.cpp
settle.cpp
pairlist.cpp
update.cpp
md_support.cpp
redistribute.cpp
mdatoms.cpp
lincs.cpp
pbc.cpp
fft.cpp
atomdata.cpp
localtopology.cpp
vector.tcc
pme_solve.cpp
pme_spread.cpp
calc_verletbuf.cpp
fft_mkl.cpp
bonded.cpp
inmemoryserializer.cpp
sim_util.cpp
grid.cpp
mshift.cpp
pme_grid.cpp
domdec_constraints.cpp
manage_threading.cpp
computemultibodycutoffs.cpp
pairs.cpp

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Experiment Summaries

r0r1r2
Application/home/eoseret/GROMACS/install/icx/bin/gmx_mpi/ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/bin/gmx_mpi/home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi
Timestamp2023-07-28 09:58:212023-08-07 14:22:232023-07-28 16:26:41
Experiment TypeMPI; same as r0same as r0
Machineskylakeinti6208ip-172-31-47-199
Architecturex86_64same as r0aarch64
Micro ArchitectureSKYLAKEZEN_V3ARM_NEOVERSE_V1
Model NameIntel(R) Xeon(R) Platinum 8170 CPU @ 2.10GHzAMD EPYC 7763 64-Core Processor
Cache Size36608 KB512 KB
Number of Cores2664
Maximal Frequency2.1 GHz2.45 GHz0 GHz
OS VersionLinux 6.4.1-arch2-1 #1 SMP PREEMPT_DYNAMIC Tue, 04 Jul 2023 08:39:40 +0000Linux 4.18.0-305.88.1.el8_4.x86_64 #1 SMP Thu Apr 6 10:22:46 EDT 2023Linux 5.15.0-1039-aws #44~20.04.1-Ubuntu SMP Thu Jun 22 12:21:08 UTC 2023
Architecture used during static analysisx86_64same as r0aarch64
Micro Architecture used during static analysisSKYLAKEZEN_V3ARM_NEOVERSE_V1
Compilation Options
gmx_mpi:
libgromacs_mpi.so.7: clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /home/eoseret/GROMACS/gromacs-2022.4/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/src/include -I /home/eoseret/GROMACS/gromacs-2022.4/src -I /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include -I /home/eoseret/GROMACS/gromacs-2022.4/build/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 -I /opt/intel/oneapi/mpi/2021.8.0/include -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external/thread_mpi/include -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external/tng_io/include -isystem /home/eoseret/GROMACS/gromacs-2022.4/build/tng/include -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external/lmfit -isystem /home/eoseret/GROMACS/gromacs-2022.4/src/external/muparser/include -fno-omit-frame-pointer -fcf-protection=none -fno-finite-math-only -O2 -g -D NDEBUG -std=c++17 -fPIC -x CORE-AVX512 -qopt-zmm-usage=high -qmkl=sequential -Wno-reserved-identifier -Wno-missing-field-initializers -Wno-pass-failed -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 -fiopenmp -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -MF CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o.d -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp -fveclib=SVML -fheinous-gnu-extensions

libgromacs_mpi.so.7: clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/api/legacy/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/analysisdata/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/applied_forces/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/commandline/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/compat/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/coordinateio/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/correlationfunctions/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/domdec/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/essentialdynamics/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fileio/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/gmxana/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/gmxlib/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/gmxpreprocess/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/gpu_utils/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/hardware/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/imd/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/linearalgebra/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/math/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdrun/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdrunutility/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdspan/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mimic/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/modularsimulator/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/onlinehelp/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/options/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pulling/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/random/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/restraint/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/selection/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/statistics/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/swap/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/tables/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/taskassignment/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/timing/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/tools/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/topology/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/trajectory/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/trajectoryanalysis/include -I /ccc/products2/ccc_users_env/production/Rhel_8__x86_64/applink/openmpi-4.1.4.5/intel--20.0.0/test_bxics-2.6/include -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -isystem /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/thread_mpi/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external -isystem /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/tng_io/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/tng/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/lmfit -isystem /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/muparser/include -g -fno-omit-frame-pointer -fcf-protection=none -fno-finite-math-only -O2 -g -D NDEBUG -fPIC -mavx2 -mfma -qmkl=sequential -Wno-reserved-identifier -Wno-missing-field-initializers -Wno-pass-failed -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 -fiopenmp -std=c++17 -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -MF CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o.d -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp -fexceptions -fveclib=SVML -fheinous-gnu-extensions
gmx_mpi: N/A

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 r0same as r0
Number of threads observed1same as r0same as r0
Frequency Driverintel_cpufreqacpi-cpufreqNA
Frequency GovernorschedutilperformanceNA
Huge Pagesalwayssame as r0madvise
Hyperthreadingoffonsame as r0
Number of sockets2same as r01
Number of cores per socket2664same as r1
MAQAO version2.17.7same as r02.17.8
MAQAO buildbf11934ec971510c7f500e010d8ca2474fd787ed::20230726-123240Build information not availablesame as r1
CommentsGROMACS 2022.4 compiled with icx 2023.0.0 running on Skylake with 1 OMP thread, 2000 stepsGROMACS compiled with icx 2023.0.0 + OpenMPI, Zen 3, OV1, 2000 steps, single coreARM-clang 22.1 (SIMD=SVE), AWS G3 (Neoverse V1), 2000 steps, single core
×