zafar-hussain / distopia

SIMD instructions for faster distance calculations.

distopia

Faster distance calculations for the year 2020 🚀 🚀 🚀

Documentation can be found at https://www.mdanalysis.org/distopia/

To build:

  mkdir build
  cd build
  cmake ..
  make

or with Ninja:

  mkdir build 
  cd build
  cmake .. -GNinja
  ninja

To run the tests:

make test

or with Ninja:

ninja test

To control the instruction set use one the following CMake flags

• -DDISTOPIA_USE_SSE1 for SSE
• -DDISTOPIA_USE_SSE2 for SSE2
• -DDISTOPIA_USE_SSE3 for SSE3
• -DDISTOPIA_USE_SSSE3 for SSSE3
• -DDISTOPIA_USE_SSE4_1 for SSE4.1
• -DDISTOPIA_USE_SSE4_2 for SSE4.2
• -DDISTOPIA_USE_AVX for AVX
• -DDISTOPIA_USE_AVX2 for AVX2

Or you can let distopia choose for you (default)

To benchmark methods (from ./build) run the benchmarks binary:

  ./benchmarks

Distopia's documentation is made with breathe using a combination of Doxygen and Sphinx To build the docs, go to the doc directory and:

doxygen
make html

then point your browser to the generated documentation.

To assess code coverage build with cmake -DDISTOPIA_COVERAGE=ON and use either make or ninja to build the coverage targets tests_coverage or test_kernels_coverage. You can then view the resulting HTML gcovr coverage reports in your favourite browser.