Removed functionality¶
Removed mdrun-only build configuration¶
The need for the mdrun-only build of GROMACS has expired, as it has the same set of dependencies as regular GROMACS. It was deprecated in GROMACS 2021. Removing it will simplify maintenance, testing, documentation, installation, and teaching new users.
Removed support for x86 MIC, ARMv7, Sparc64 HPC-ACE, and IBM VMX SIMD¶
These platforms are dead in HPC and so are no longer supported. The KNL platform is unaffected by this change.
Removed deprecated environment variables¶
The following environment variables were removed after being deprecated in favor of better-named alternatives:
GMX_CUDA_NB_ANA_EWALDandGMX_OCL_NB_ANA_EWALD(useGMX_GPU_NB_ANA_EWALD)GMX_CUDA_NB_TAB_EWALDandGMX_OCL_NB_TAB_EWALD(useGMX_GPU_NB_TAB_EWALD)GMX_CUDA_NB_EWALD_TWINCUTandGMX_OCL_NB_EWALD_TWINCUT(useGMX_GPU_NB_EWALD_TWINCUT)
Removed the ability for gmx wham to read .pdo files¶
Files in .pdo format were written by GROMACS versions prior to 4.0. That is so long ago that being able to read them is no longer relevant, so this capability was deprecated in version 2021. If you do need to read such files, please use an older version of GROMACS.