Re: [easybuild] [GROMACS/2019.4-foss-2019a] Double precision version by default?

Hi Åke, Åke Sandgren writes: > GROMACS-2019.4-foss-2019a.eb is not part of the EasyBuild repo so Thanks for spotting that. I can't find a local GROMACS-2019.4-foss-2019a.eb, so I am not sure where that came from. > there might be something different in the local version compared to > for

Re: [easybuild] [GROMACS/2019.4-foss-2019a] Double precision version by default?

GROMACS-2019.4-foss-2019a.eb is not part of the EasyBuild repo so there might be something different in the local version compared to for instance GROMACS-2019.3-foss-2019b.eb which do build single/double + mpi/no-mpi versions gmx (single precision, no mpi) gmx_d (double precision, no mpi)

[easybuild] [GROMACS/2019.4-foss-2019a] Double precision version by default?

Hi, My apparently incorrect understanding of the GROMACS easyblock https://github.com/easybuilders/easybuild-easyblocks/blob/develop/easybuild/easyblocks/g/gromacs.py is that for non-CUDA versions, the default is to build a double precision version. However, building