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- r0: 1x1
- r1: 2x1
- r2: 4x1
- r3: 8x1
- r4: 16x1
- r5: 32x1
- r6: 64x1
| Metric | r0 | r1 | r2 | r3 | r4 | r5 | r6 |
|---|
| Total Time (s) | 1.79 E3 | 926.89 | 480.56 | 257.26 | 139.53 | 90.03 | 56.19 |
| Profiled Time (s) | 1.79 E3 | 921.05 | 475.47 | 253.27 | 136.08 | 88.44 | 54.78 |
| Time in analyzed loops (%) | 93.1 | 91.9 | 90.6 | 89.2 | 83.8 | 73.4 | 68.6 |
| Time in analyzed innermost loops (%) | 86.5 | 85.3 | 83.7 | 81.6 | 76.7 | 67.2 | 62.8 |
| Time in user code (%) | 0 | 0.70 | 1.98 | 3.18 | 7.75 | 19.8 | 24.1 |
| Compilation Options Score (%) | 100 | 100 | 100 | 100 | 100 | 100 | 100 |
| Perfect Flow Complexity | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
| Array Access Efficiency (%) | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available |
| Perfect OpenMP + MPI + Pthread | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.00 | 1.01 |
| Perfect OpenMP + MPI + Pthread + Perfect Load Distribution | 1.00 | 1.00 | 1.00 | 1.00 | 1.01 | 1.01 | 1.02 |
| No Scalar Integer | Potential Speedup | 1.05 | 1.05 | 1.05 | 1.06 | 1.05 | 1.05 | 1.04 |
| Nb Loops to get 80% | 9 | 11 | 11 | 11 | 11 | 11 | 11 |
| FP Vectorised | Potential Speedup | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 |
| Nb Loops to get 80% | 2 | 2 | 2 | 2 | 2 | 2 | 2 |
| Fully Vectorised | Potential Speedup | 1.10 | 1.09 | 1.09 | 1.09 | 1.08 | 1.07 | 1.06 |
| Nb Loops to get 80% | 15 | 19 | 20 | 21 | 21 | 22 | 22 |
| Only FP Arithmetic | Potential Speedup | 1.20 | 1.20 | 1.20 | 1.20 | 1.19 | 1.16 | 1.15 |
| Nb Loops to get 80% | 14 | 16 | 16 | 17 | 17 | 16 | 15 |
| Scalability - Gap | 1.00 | 1.03 | 1.07 | 1.15 | 1.24 | 1.61 | 2.01 |
| Source Object | Issue |
|---|
| ▼libgromacs_mpi.so.7.0.0– | |
| ▼calc_verletbuf.cpp– | |
| ○ | |
| ▼lincs.cpp– | |
| ○ | |
| ▼pbc.cpp– | |
| ○ | |
| ▼domdec.cpp– | |
| ○ | |
| ▼pme_redistribute.cpp– | |
| ○ | |
| ▼fft5d.cpp– | |
| ○ | |
| ▼partition.cpp– | |
| ○ | |
| ▼atomdata.cpp– | |
| ○ | |
| ▼pairs.cpp– | |
| ○ | |
| ▼threaded_force_buffer.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_F.cpp– | |
| ○ | |
| ▼pme_grid.cpp– | |
| ○ | |
| ▼localtopology.cpp– | |
| ○ | |
| ▼calcvir.cpp– | |
| ○ | |
| ▼pme_solve.cpp– | |
| ○ | |
| ▼pme_spread.cpp– | |
| ○ | |
| ▼kernel_common.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_VF.cpp– | |
| ○ | |
| ▼kernel_prune.cpp– | |
| ○ | |
| ▼manage_threading.cpp– | |
| ○ | |
| ▼update.cpp– | |
| ○ | |
| ▼settle.cpp– | |
| ○ | |
| ▼bonded.cpp– | |
| ○ | |
| ▼pairlist.cpp– | |
| ○ | |
| ▼sim_util.cpp– | |
| ○ | |
| ▼grid.cpp– | |
| ○ | |
| ▼md_support.cpp– | |
| ○ | |
| ▼redistribute.cpp– | |
| ○ | |
| ▼domdec_constraints.cpp– | |
| ○ | |
| ▼pme_gather.cpp– | |
| ○ | |
| ▼mdatoms.cpp– | |
| ○ | |
| ▼pme_pp.cpp– | |
| ○ | |
| Source Object | Issue |
|---|
| ▼libgromacs_mpi.so.7.0.0– | |
| ▼calc_verletbuf.cpp– | |
| ○ | |
| ▼lincs.cpp– | |
| ○ | |
| ▼pbc.cpp– | |
| ○ | |
| ▼domdec.cpp– | |
| ○ | |
| ▼pme_redistribute.cpp– | |
| ○ | |
| ▼fft5d.cpp– | |
| ○ | |
| ▼partition.cpp– | |
| ○ | |
| ▼atomdata.cpp– | |
| ○ | |
| ▼pairs.cpp– | |
| ○ | |
| ▼threaded_force_buffer.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_F.cpp– | |
| ○ | |
| ▼pme_grid.cpp– | |
| ○ | |
| ▼localtopology.cpp– | |
| ○ | |
| ▼calcvir.cpp– | |
| ○ | |
| ▼pme_solve.cpp– | |
| ○ | |
| ▼pme_spread.cpp– | |
| ○ | |
| ▼kernel_common.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_VF.cpp– | |
| ○ | |
| ▼kernel_prune.cpp– | |
| ○ | |
| ▼manage_threading.cpp– | |
| ○ | |
| ▼update.cpp– | |
| ○ | |
| ▼settle.cpp– | |
| ○ | |
| ▼bonded.cpp– | |
| ○ | |
| ▼pairlist.cpp– | |
| ○ | |
| ▼sim_util.cpp– | |
| ○ | |
| ▼grid.cpp– | |
| ○ | |
| ▼md_support.cpp– | |
| ○ | |
| ▼redistribute.cpp– | |
| ○ | |
| ▼domdec_constraints.cpp– | |
| ○ | |
| ▼pme_gather.cpp– | |
| ○ | |
| ▼mdatoms.cpp– | |
| ○ | |
| ▼pme_pp.cpp– | |
| ○ | |
| Source Object | Issue |
|---|
| ▼libgromacs_mpi.so.7.0.0– | |
| ▼calc_verletbuf.cpp– | |
| ○ | |
| ▼lincs.cpp– | |
| ○ | |
| ▼pbc.cpp– | |
| ○ | |
| ▼domdec.cpp– | |
| ○ | |
| ▼pme_redistribute.cpp– | |
| ○ | |
| ▼fft5d.cpp– | |
| ○ | |
| ▼partition.cpp– | |
| ○ | |
| ▼atomdata.cpp– | |
| ○ | |
| ▼pairs.cpp– | |
| ○ | |
| ▼threaded_force_buffer.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_F.cpp– | |
| ○ | |
| ▼pme_grid.cpp– | |
| ○ | |
| ▼localtopology.cpp– | |
| ○ | |
| ▼calcvir.cpp– | |
| ○ | |
| ▼pme_solve.cpp– | |
| ○ | |
| ▼pme_spread.cpp– | |
| ○ | |
| ▼kernel_common.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_VF.cpp– | |
| ○ | |
| ▼kernel_prune.cpp– | |
| ○ | |
| ▼manage_threading.cpp– | |
| ○ | |
| ▼update.cpp– | |
| ○ | |
| ▼settle.cpp– | |
| ○ | |
| ▼bonded.cpp– | |
| ○ | |
| ▼pairlist.cpp– | |
| ○ | |
| ▼sim_util.cpp– | |
| ○ | |
| ▼grid.cpp– | |
| ○ | |
| ▼md_support.cpp– | |
| ○ | |
| ▼redistribute.cpp– | |
| ○ | |
| ▼domdec_constraints.cpp– | |
| ○ | |
| ▼pme_gather.cpp– | |
| ○ | |
| ▼mdatoms.cpp– | |
| ○ | |
| ▼pme_pp.cpp– | |
| ○ | |
| Source Object | Issue |
|---|
| ▼libgromacs_mpi.so.7.0.0– | |
| ▼calc_verletbuf.cpp– | |
| ○ | |
| ▼lincs.cpp– | |
| ○ | |
| ▼pbc.cpp– | |
| ○ | |
| ▼domdec.cpp– | |
| ○ | |
| ▼pme_redistribute.cpp– | |
| ○ | |
| ▼fft5d.cpp– | |
| ○ | |
| ▼partition.cpp– | |
| ○ | |
| ▼atomdata.cpp– | |
| ○ | |
| ▼pairs.cpp– | |
| ○ | |
| ▼threaded_force_buffer.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_F.cpp– | |
| ○ | |
| ▼pme_grid.cpp– | |
| ○ | |
| ▼localtopology.cpp– | |
| ○ | |
| ▼calcvir.cpp– | |
| ○ | |
| ▼pme_solve.cpp– | |
| ○ | |
| ▼pme_spread.cpp– | |
| ○ | |
| ▼kernel_common.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_VF.cpp– | |
| ○ | |
| ▼kernel_prune.cpp– | |
| ○ | |
| ▼manage_threading.cpp– | |
| ○ | |
| ▼update.cpp– | |
| ○ | |
| ▼settle.cpp– | |
| ○ | |
| ▼bonded.cpp– | |
| ○ | |
| ▼pairlist.cpp– | |
| ○ | |
| ▼sim_util.cpp– | |
| ○ | |
| ▼grid.cpp– | |
| ○ | |
| ▼md_support.cpp– | |
| ○ | |
| ▼redistribute.cpp– | |
| ○ | |
| ▼domdec_constraints.cpp– | |
| ○ | |
| ▼pme_gather.cpp– | |
| ○ | |
| ▼mdatoms.cpp– | |
| ○ | |
| ▼pme_pp.cpp– | |
| ○ | |
| Source Object | Issue |
|---|
| ▼libgromacs_mpi.so.7.0.0– | |
| ▼calc_verletbuf.cpp– | |
| ○ | |
| ▼lincs.cpp– | |
| ○ | |
| ▼pbc.cpp– | |
| ○ | |
| ▼domdec.cpp– | |
| ○ | |
| ▼pme_redistribute.cpp– | |
| ○ | |
| ▼fft5d.cpp– | |
| ○ | |
| ▼partition.cpp– | |
| ○ | |
| ▼atomdata.cpp– | |
| ○ | |
| ▼pairs.cpp– | |
| ○ | |
| ▼threaded_force_buffer.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_F.cpp– | |
| ○ | |
| ▼pme_grid.cpp– | |
| ○ | |
| ▼localtopology.cpp– | |
| ○ | |
| ▼calcvir.cpp– | |
| ○ | |
| ▼pme_solve.cpp– | |
| ○ | |
| ▼pme_spread.cpp– | |
| ○ | |
| ▼kernel_common.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_VF.cpp– | |
| ○ | |
| ▼kernel_prune.cpp– | |
| ○ | |
| ▼manage_threading.cpp– | |
| ○ | |
| ▼update.cpp– | |
| ○ | |
| ▼settle.cpp– | |
| ○ | |
| ▼bonded.cpp– | |
| ○ | |
| ▼pairlist.cpp– | |
| ○ | |
| ▼sim_util.cpp– | |
| ○ | |
| ▼grid.cpp– | |
| ○ | |
| ▼md_support.cpp– | |
| ○ | |
| ▼redistribute.cpp– | |
| ○ | |
| ▼domdec_constraints.cpp– | |
| ○ | |
| ▼pme_gather.cpp– | |
| ○ | |
| ▼mdatoms.cpp– | |
| ○ | |
| ▼pme_pp.cpp– | |
| ○ | |
| Source Object | Issue |
|---|
| ▼libgromacs_mpi.so.7.0.0– | |
| ▼calc_verletbuf.cpp– | |
| ○ | |
| ▼lincs.cpp– | |
| ○ | |
| ▼pbc.cpp– | |
| ○ | |
| ▼domdec.cpp– | |
| ○ | |
| ▼pme_redistribute.cpp– | |
| ○ | |
| ▼fft5d.cpp– | |
| ○ | |
| ▼partition.cpp– | |
| ○ | |
| ▼atomdata.cpp– | |
| ○ | |
| ▼pairs.cpp– | |
| ○ | |
| ▼threaded_force_buffer.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_F.cpp– | |
| ○ | |
| ▼pme_grid.cpp– | |
| ○ | |
| ▼localtopology.cpp– | |
| ○ | |
| ▼calcvir.cpp– | |
| ○ | |
| ▼pme_solve.cpp– | |
| ○ | |
| ▼pme_spread.cpp– | |
| ○ | |
| ▼kernel_common.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_VF.cpp– | |
| ○ | |
| ▼kernel_prune.cpp– | |
| ○ | |
| ▼manage_threading.cpp– | |
| ○ | |
| ▼update.cpp– | |
| ○ | |
| ▼settle.cpp– | |
| ○ | |
| ▼bonded.cpp– | |
| ○ | |
| ▼pairlist.cpp– | |
| ○ | |
| ▼sim_util.cpp– | |
| ○ | |
| ▼grid.cpp– | |
| ○ | |
| ▼md_support.cpp– | |
| ○ | |
| ▼redistribute.cpp– | |
| ○ | |
| ▼domdec_constraints.cpp– | |
| ○ | |
| ▼pme_gather.cpp– | |
| ○ | |
| ▼mdatoms.cpp– | |
| ○ | |
| ▼pme_pp.cpp– | |
| ○ | |
| Source Object | Issue |
|---|
| ▼libgromacs_mpi.so.7.0.0– | |
| ▼calc_verletbuf.cpp– | |
| ○ | |
| ▼lincs.cpp– | |
| ○ | |
| ▼pbc.cpp– | |
| ○ | |
| ▼domdec.cpp– | |
| ○ | |
| ▼pme_redistribute.cpp– | |
| ○ | |
| ▼fft5d.cpp– | |
| ○ | |
| ▼partition.cpp– | |
| ○ | |
| ▼atomdata.cpp– | |
| ○ | |
| ▼pairs.cpp– | |
| ○ | |
| ▼threaded_force_buffer.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_F.cpp– | |
| ○ | |
| ▼pme_grid.cpp– | |
| ○ | |
| ▼localtopology.cpp– | |
| ○ | |
| ▼calcvir.cpp– | |
| ○ | |
| ▼pme_solve.cpp– | |
| ○ | |
| ▼pme_spread.cpp– | |
| ○ | |
| ▼kernel_common.cpp– | |
| ○ | |
| ▼kernel_ElecEw_VdwLJCombLB_VF.cpp– | |
| ○ | |
| ▼kernel_prune.cpp– | |
| ○ | |
| ▼manage_threading.cpp– | |
| ○ | |
| ▼update.cpp– | |
| ○ | |
| ▼settle.cpp– | |
| ○ | |
| ▼bonded.cpp– | |
| ○ | |
| ▼pairlist.cpp– | |
| ○ | |
| ▼sim_util.cpp– | |
| ○ | |
| ▼grid.cpp– | |
| ○ | |
| ▼md_support.cpp– | |
| ○ | |
| ▼redistribute.cpp– | |
| ○ | |
| ▼domdec_constraints.cpp– | |
| ○ | |
| ▼pme_gather.cpp– | |
| ○ | |
| ▼mdatoms.cpp– | |
| ○ | |
| ▼pme_pp.cpp– | |
| ○ | |
| r0 | r1 | r2 | r3 | r4 | r5 | r6 |
|---|
| Application | /home/eoseret/GROMACS/build/armclang_2/bin/gmx_mpi | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| Timestamp | 2023-03-03 21:03:07 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| Experiment Type | MPI; | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| Machine | ip-172-31-70-148 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| Architecture | aarch64 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| Micro Architecture | ARM_NEOVERSE_V1 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| Model Name | | | | | | | |
|---|
| Cache Size | | | | | | | |
|---|
| Number of Cores | | | | | | | |
|---|
| Maximal Frequency | 0 GHz | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| OS Version | Linux 5.15.0-1030-aws #34~20.04.1-Ubuntu SMP Tue Jan 24 15:16:39 UTC 2023 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| Architecture used during static analysis | aarch64 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
|---|
| Micro Architecture used during static analysis | ARM_NEOVERSE_V1 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same 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_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 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| Number of processes observed | 1 | 2 | 4 | 8 | 16 | 32 | 64 |
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| Number of threads observed | 1 | 2 | 4 | 8 | 16 | 32 | 64 |
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| MAQAO version | 2.16.3 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
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| MAQAO build | Build information not available | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
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| Comments | ARM-clang 22.1 (SIMD=SVE), AWS G3 (Neoverse V1), scalability | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 | same as r0 |
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