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Global Metrics
Total Time (s)
17.68
Profiled Time (s)
15.56
Time in analyzed loops (%)
36.0
Time in analyzed innermost loops (%)
30.3
Time in user code (%)
45.7
Compilation Options Score (%)
100
Array Access Efficiency (%)
51.2
Potential Speedups
Perfect Flow Complexity
1.03
Perfect OpenMP + MPI + Pthread
1.14
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution
1.48
No Scalar Integer
Potential Speedup
1.02
Nb Loops to get 80%
13
FP Vectorised
Potential Speedup
1.03
Nb Loops to get 80%
8
Fully Vectorised
Potential Speedup
1.11
Nb Loops to get 80%
26
FP Arithmetic Only
Potential Speedup
1.08
Nb Loops to get 80%
27
CQA Potential Speedups Summary
Loop Based Profile⏎
Innermost Loop Based Profile⏎
Application Categorization⏎
Compilation Options⏎
Source Object
Issue
▼libgromacs_mpi.so.9.0.0–
○pme_only.cpp
○threaded_force_buffer.cpp
○pme_pp.cpp
○pme_gather.cpp
○calcvir.cpp
○simd_prune_kernel.cpp
○partition.cpp
○reversetopology.cpp
○settle.cpp
○pairlist.cpp
○update.cpp
○md_support.cpp
○mdatoms.cpp
○lincs.cpp
○domdec.cpp
○pme_redistribute.cpp
○md.cpp
○domdec_specatomcomm.cpp
○pme_grid.cpp
○localtopology.cpp
○pme_solve.cpp
○pme_spread.cpp
○calc_verletbuf.cpp
○simd_kernel.h
○bonded.cpp
○inmemoryserializer.cpp
○sim_util.cpp
○grid.cpp
○pairs.cpp
○domdec_constraints.cpp
○fft5d.cpp
○constraintrange.cpp
○atomdata.cpp
▼[vdso]–
○
-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)
Loop Path Count Profile⏎
Cumulated Speedup If No Scalar Integer⏎
Cumulated Speedup If FP Vectorized⏎
Cumulated Speedup If Fully Vectorized⏎
Cumulated Speedup If FP Arithmetic Only⏎
Experiment Summary
Application
../../install_MPI/bin/gmx_mpi
Timestamp
2024-08-02 14:15:25
Universal Timestamp
1722600925
Number of processes observed
192
Number of threads observed
192
Experiment Type
MPI; OpenMP;
Machine
ins01.benchmarkcenter.megware.com
Model Name
AMD EPYC 9654 96-Core Processor
Architecture
x86_64
Micro Architecture
ZEN_V4
Cache Size
1024 KB
Number of Cores
96
OS Version
Linux 5.14.0-427.18.1.el9_4.x86_64 #1 SMP PREEMPT_DYNAMIC Tue May 28 06:27:02 EDT 2024
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