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

ednesday, February 8, 2023 10:54 > To: easybuild > Subject: [easybuild] [GROMACS/2019.4-foss-2019a] Double precision version by > default? > > Hi, > > My apparently incorrect understanding of the GROMACS easyblock > > > https://eur01.safelinks.protection.outlook.

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

-foss-2019a] Double precision version by default? Hi, My apparently incorrect understanding of the GROMACS easyblock https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2Feasybuilders%2Feasybuild-easyblocks%2Fblob%2Fdevelop%2Feasybuild%2Feasyblocks%2Fg%2Fgromacs.py=05

[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