1 # Comment line(s) preceding each configuration document the main
2 # intent behind that configuration, so that we can correctly judge
3 # whether to preserve that during maintenance decisions.
5 # Other configurations might coincidentally test such configurations
6 # (e.g. because they are the current default), but it is appropriate
7 # to intend to teach each feature (or a feature combination) exactly
8 # once, and for the intent to be reflected precisely in the
9 # configuration syntax, so that the configurations are stable even
10 # if the defaults change in future.
14 gcc-4.8 simd=ARM_NEON release
17 # Test ARM_NEON_ASIMD SIMD
18 gcc-5 simd=ARM_NEON_ASIMD release
20 # Test the mdrun-only build
21 # TODO In combination with gmx from another build, arrange to run regressiontests
22 clang-3.7 double mpi no-openmp fftpack mdrun-only
24 # Test MPMD PME with thread-MPI
25 # TODO Add double to this configuration if/when we stablize the essentialdynamics tests
26 gcc-5 npme=1 nranks=2 no-openmp fftpack simd=avx_128_fma release
28 # Test non-default GMX_PREFER_STATIC_LIBS behavior
30 # msvc-2015 double no-threadmpi no-prefer-static-libs release
32 # Test behaviour when dlopen is not present
34 # icc-16.0 no-dlopen no-threadmpi double mkl release
37 # Test single-rank GPU
38 gcc-4.8 nranks=1 gpu cuda-7.5 simd=sse4.1
40 # Test MPMD PME with library MPI
41 clang-4 npme=1 nranks=2 mpi
43 # Test non-default use of mdrun -gpu_id
45 gcc-4.8 gpu npme=1 nranks=2 gpu_id=2 cuda-7.5 simd=sse2 release
49 # Test without TNG support
50 # Test without hwloc support
51 # Test with NVML support
52 # Test statically linked hwloc support (if/when it can work well)
53 # Test 3D DD (2D is partially covered in regressiontests)
54 # Test own-fftw build (from local copy of the file)
55 # Test mdrun -tunepme (e.g. with relaxed tolerances, for now)
56 # Consider testing of other CMake option paths