gcc-7 mpi no-openmp fftpack mdrun-only
# Test MPMD PME with thread-MPI
-# Test newest icc at time of release
-# Test icc without SIMD in double precision in release mode
-# TODO enable simd=avx_256 in this config, and change the above description once #2335 is resolved
-icc-18 npme=1 nranks=2 no-openmp double fftpack release simd=none
+# Test oldest supported icc
+# Test icc with AVX256 in double precision in release mode
+icc-17 simd=avx_256 npme=1 nranks=2 no-openmp double fftpack release
# Test CUDA build on a slave with no CUDA devices
- gcc-4.9 gpu cuda-7.0 openmp release-with-assert
+ # Test without TNG support
+ gcc-4.9 gpu cuda-7.0 openmp no-tng release-with-assert
# Test non-default GMX_PREFER_STATIC_LIBS behavior
# TODO enable this
*/
struct gmx_tng_trajectory
{
- tng_trajectory_t tng; //!< Actual TNG handle (pointer)
- bool lastStepDataIsValid; //!< True if lastStep has been set
- std::int64_t lastStep; //!< Index/step used for last frame
- bool lastTimeDataIsValid; //!< True if lastTime has been set
- double lastTime; //!< Time of last frame (TNG unit is seconds)
- bool timePerFrameIsSet; //!< True if we have set the time per frame
+ tng_trajectory_t tng; //!< Actual TNG handle (pointer)
+ bool lastStepDataIsValid; //!< True if lastStep has been set
+ std::int64_t lastStep; //!< Index/step used for last frame
+ bool lastTimeDataIsValid; //!< True if lastTime has been set
+ double lastTime; //!< Time of last frame (TNG unit is seconds)
+ bool timePerFrameIsSet; //!< True if we have set the time per frame
+ int boxOutputInterval; //!< Number of steps between the output of box size
+ int lambdaOutputInterval; //!< Number of steps between the output of lambdas
};
+ #if GMX_USE_TNG
static const char *modeToVerb(char mode)
{
const char *p;
pr_reals_of_dim(stdout, indent, block_name, values, n_atoms, n_values_per_frame);
}
+ #endif
+
static void list_tng(const char gmx_unused *fn)
{
- #ifdef GMX_USE_TNG
+ #if GMX_USE_TNG
gmx_tng_trajectory_t tng;
- gmx_int64_t nframe = 0;
- gmx_int64_t i, *block_ids = nullptr, step, ndatablocks;
+ int64_t nframe = 0;
+ int64_t i, *block_ids = nullptr, step, ndatablocks;
gmx_bool bOK;
real *values = nullptr;