GROMACS 5.1.1 Release NotesΒΆ
These release notes document the changes that have taken place in GROMACS since version 5.1 to fix known issues.
- Incorporated all fixes made in version 5.0.7
- Fixed bugs with intermol interactions and DD
- Fixed intermolecular interactions with small mols
- Fixed signalling on some platforms
- Added code to detect incorrect cycle counting
- Fixed wallcycle subcounters
- Removed dihedrals from GLY .rtp entry.
- Fixed broken OpenCL build and detection
- Improved NVML support
- Add CUDA nvcc >=7.0 support
- Fixed nbnxn_4xN performance regression
- Fixed GMX_EXTERNAL_BOOST configuration
- Fixed syntax of PME tuning error message
- Made bash completions work with bash –posix
- Fixed mdrun -nb auto -rerun with GPU and energy groups
- Fixed -seltype option for C++ tools
- Fixed a reaction-field warning message
- Hardened FindSphinx.cmake