Unable to install older version of Gromacs

User discussions
1

Seems that something is wrong with “releases no loger being maintained” (versions 2020 and older).
It is not possible to download tar.gz file with normal click on link (it is possible only by “save link as” after warning about suspicous file). regresiontests.tar.gz is not at all possible. Consequently, installation following standard procedure from website, stops with error (cannot download regressiontest)…

Am I missed something?

I would like to use older version because Martini scripts I need uses “cutoff-scheme=group” which cannot be used with “maintained releases” (such as mine 2021.5)

Thanks

2

Hi,
I understand that you are interested in the GROMACS 2020. Then you can download the latest patch release (more bug free GROMACS 2020.7 patch release available ) from the webpage or following the link in the release announcement post.

I can not reproduce the error you got in downloading. Could you please tell which page was giving the error.
Thank you
Alessandra

3

Thanks,

Problem appears with all versions prior to 2020, for example 5.1.5
As I described, regressiontests.tar.gz of that version is not accesible for download, consequently installation stops with error (cannot download regressiontest).

Installation of versions 2021. and up goes without any problems. That’s why I think that problem is not on my side, but on the other side, seems that noone facing this problems :/

Examples of succesful cmake terminal output (gromacs 2022.2) and errors in cmake of gromacs 5.1.5:

Error_cmake_gromacs_5_1_5.log (12.5 KB)
Successful_cmake_gromacs2022.log (13.0 KB)

4

Hi,
I am facing the same problem while trying to install the gromacs2020.7 on a system with the attached CPU and GPU information. I have installed the software without problem on my local system though. The error occurs in “make” command and is also attached.
error2020.7.log (3.1 KB)
system_info.log (4.1 KB)

5

Hi @maryamma! GROMACS 2020 is not supported anymore, so we strongly recommend using a newer version which offers better performance and less bugs.

If you are sure you need GROMACS 2020.7, please follow the advise in this thread: Gromacs(2016)/Spack Compilation Fails- error: 'numeric_limits' is not a member of 'std'. This is a different issue from the one being discussed in this thread by others, which is related to a regression test location.

6

Hi @nevjernik:

If you so wish, you can download the regressiontests manually from https://ftp.gromacs.org/regressiontests/regressiontests-5.1.5.tar.gz.

The 5.1.5 release is very old, and the installation scripts there were not (nor will be) updated for our new download server.