GROMACS development

12/09/2020

03:45 PM GROMACS Revision e5580707: Fix indexing bug in electric field module

Improper refactoring in c8eca5d1f27cc34903718ade7d44527c22ec3d93 lead to
the module using the wrong maximum atom inde...

12/02/2020

03:39 PM GROMACS Revision da553d27: Third GROMACS 2021 beta release

All features should now be stable before the release.

11/30/2020

05:07 PM GROMACS Revision c710b8c6: Add tests for newer GCC versions

Added gcc-9 + OpenCL (in release builds) and gcc-10 + OpenCL
during merge pipelines to replace previous gcc-7 + OpenC...

11/29/2020

07:36 PM GROMACS Revision b0076c9d: Fix build on CentOS 7

The compiler toolset coming with devtoolset-7 on CentOS still suffers
from https://gcc.gnu.org/bugzilla/show_bug.cgi?...

11/25/2020

11:30 AM GROMACS Revision b43085a5: Fix cyclecounters on x32

A missing check meant that the code wouldn't compile due to an asm block
that is not compatible with 32 bit datatype ...

11:02 AM GROMACS Revision e320829e: Fix error with links in docs

Linkchecker complained about issues that I didn't fix correctly during
the latest merge.

11/24/2020

04:58 PM GROMACS Revision 58f5c06f: Merge branch 'origin/release-2021' into merge-2021-into-master

Resolved Conflicts:
cmake/gmxVersionInfo.cmake
docs/release-notes/index.rst
src/gromacs/mdlib/CMakeLists.txt
src/...

03:15 PM GROMACS Revision ce297e45: Merge branch 'origin/release-2020' into merge-2020-into-2021

Resolved Conflicts:
admin/containers/scripted_gmx_docker_builds.py
docs/conf.cmakein.py
docs/dev-manual/change-man...

01:30 PM GROMACS Revision e2ebcdb7: Fix gmx h2order -d option

The code to implement this was never added.
Fixes #3820

11/23/2020

09:51 PM GROMACS Revision 88cf35cd: Fixes for Intel and container build fixes

Generalizes the TSAN build stage to a compiler build stage, and uses
it for containing the installation process for t...