Verifying A Build¶

After building FastSASA (see Getting Started), run the test suite for the backends you built.

Native Test Suite¶

ctest --test-dir build --output-on-failure -L release

For a Vulkan build, the vulkan label runs the Vulkan-specific tests; they are skipped automatically when no Vulkan compute device is available:

ctest --test-dir build --output-on-failure -L vulkan

Set FASTSASA_BACKEND=cuda to exercise CUDA explicitly on a CUDA+Vulkan build; normal execution prefers Vulkan, then CUDA.

Python Install Smoke Test¶

python3 -m pip install .
python3 -c "import fastsasa, fastsasa_native; print('FastSASA import ok')"

Sanitizers¶

CPU-side sanitizers:

cmake -S . -B build-asan \
  -DFASTSASA_ENABLE_CUDA=OFF \
  -DFASTSASA_ENABLE_SANITIZERS=ON \
  -DFASTSASA_BUILD_NATIVE_TESTS=ON
cmake --build build-asan -j4
ctest --test-dir build-asan --output-on-failure -L release

CUDA memory checking, on a machine with a visible GPU:

compute-sanitizer ./build/fastsasa --format log tests/data/1ubq.pdb

Benchmarking¶

See Benchmark Corpus for running and reproducing FastSASA's benchmarks.