Refactoring of the SETTLE tests
commitd1f2302ee1a2f79394b65c469d9c547ddb804997
authorArtem Zhmurov <zhmurov@gmail.com>
Fri, 28 Jun 2019 09:18:43 +0000 (28 11:18 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 9 Aug 2019 15:35:08 +0000 (9 17:35 +0200)
tree0db4493631c51bb3c7a052cc729fb46a718235f7
parentfdb8bb63c05181266f626484767b9e60d5fe9187
Refactoring of the SETTLE tests

Current version of tests for CUDA version of SETTLE was a quick
addition to the old tests, with direct comparison of the GPU
implementation with the old original CPU-based implementation.
This commit rearranges the test structure, making it possible
to apply the same set of tests to both implementations. There
is no changes to the tests themselves. Currently, comparison tests
will run twice and will dry-run on CUDA builds without CUDA-
capable devices.

TODO: Add comparison with pre-computed values for coordinates,
      velocities and virial. Remove the CPU vs GPU comparison
      tests.

Refs #2886, #2888.

Change-Id: Ifcb6af9af6c93787b919b785348f9f4547b6c267
src/gromacs/mdlib/tests/CMakeLists.txt
src/gromacs/mdlib/tests/settle.cpp
src/gromacs/mdlib/tests/settletestdata.cpp [new file with mode: 0644]
src/gromacs/mdlib/tests/settletestdata.h [new file with mode: 0644]
src/gromacs/mdlib/tests/settletestrunners.cpp [new file with mode: 0644]
src/gromacs/mdlib/tests/settletestrunners.cu [moved from src/gromacs/mdlib/tests/settle_runners.cu with 59% similarity]
src/gromacs/mdlib/tests/settletestrunners.h [moved from src/gromacs/mdlib/tests/settle_runners.h with 50% similarity]