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Extensive improvements in benchmark tool #1042

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merged 3 commits into from
Mar 13, 2024
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GiovanniBussi
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Added:

  • stop after a maximum time
  • benchmark domain decomposition runs
  • comparative analysis on different versions
  • sleep to simulate MD code calculation

See documentation

@carlocamilloni could you share the SAXS test case you were running on MPI? I want to test it with this benchmark tool, to see if by running multiple versions at a time we get more precise results.

I would need:

  • plumed input file
  • all accessory files (pdb etc) if needed

no trajectory should be needed

Added:

- stop after a maximum time
- benchmark domain decomposition runs
- comparative analysis on different versions
- sleep to simulate MD code calculation
for(auto & c : choice) c=distrib(g);
long long int reference=0;
for(auto & c : choice) reference+=blocks[0][c];
for(auto i=0; i<blocks.size(); i++) {

Check notice

Code scanning / CodeQL

Declaration hides variable Note

Variable i hides another variable of the same name (on
line 340
).
}
};

std::unique_ptr<FILE,FileDeleter> log_dev_null{std::fopen("/dev/null","w")};

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Code scanning / CodeQL

File created without restricting permissions High

A file may be created here with mode 0666, which would make it world-writable.
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codecov-commenter commented Mar 12, 2024

Codecov Report

Attention: Patch coverage is 2.70270% with 108 lines in your changes are missing coverage. Please review.

Project coverage is 83.24%. Comparing base (0c8be3e) to head (6869c9f).

❗ Current head 6869c9f differs from pull request most recent head 27e789c. Consider uploading reports for the commit 27e789c to get more accurate results

Files Patch % Lines
src/cltools/Benchmark.cpp 2.70% 108 Missing ⚠️

❗ Your organization needs to install the Codecov GitHub app to enable full functionality.

Additional details and impacted files
@@            Coverage Diff             @@
##           master    #1042      +/-   ##
==========================================
- Coverage   83.39%   83.24%   -0.15%     
==========================================
  Files         619      619              
  Lines       59130    59221      +91     
==========================================
- Hits        49312    49300      -12     
- Misses       9818     9921     +103     

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@GiovanniBussi GiovanniBussi merged commit bf55f8f into master Mar 13, 2024
33 of 34 checks passed
@carlocamilloni
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@GiovanniBussi here it is:

Archive.zip

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4 participants