Release notes¶
These release notes record the changes made in all major and patch releases of GROMACS. Major releases contain changes to the functionality supported, whereas patch releases contain only fixes for issues identified in the corresponding major releases.
Two versions of GROMACS are under active maintenance, the 2019 series and the 2018 series. In the latter, only highly conservative fixes will be made, and only to address issues that affect scientific correctness. Naturally, some of those releases will be made after the year 2018 ends, but we keep 2018 in the name so users understand how up to date their version is. Such fixes will also be incorporated into the 2019 release series, as appropriate. Around the time the 2020 release is made, the 2018 series will no longer be maintained.
Where issue numbers are reported in these release notes, more details can be found at https://redmine.gromacs.org at that issue number.
GROMACS 2019 series¶
Patch releases¶
- GROMACS 2019.1 release notes
- Fix error with 2D/3D dynamic load balancing
- Fix incorrect LJ repulsion force switching on GPUs
- Fix segmentation fault in mdrun with domain decomposition
- Fix segmentation fault with energy minimization with the group scheme
- Correct free-energy Delta H output with mass lambda’s
- Prevent mdrun -rerun from writing incorrect free-energy output
- Fix possible division by zero in enforced-rotation code
- Fix trjconv -ndec
- Fix using index file groups when .tpr file not supplied
- Fix tune_pme
- With MSVC, disabled internal clFFT fallback used for OpenCL support
- Explicitly require 64-bit platforms for OpenCL
- Improved docs for applying electric fields