Reading file version 119 with version 112 program

[MASON HOOTEN]

Hello,

I believe I was finally able to install VOTCA 1.6.1, but am seeing some a version error when trying to run the tutorial commands. It seems that maybe my VOTCA version is looking for an old version of GROMACS? I separately installed GROMACS 2020.3, manually sourced the commands, and verified that "which gmx" points to the correct version. See error example below. Any thoughts?

Best,

Mason

****

~/votca tutorials/csg-tutorials-master/spce/atomistic$ csg_map --top topol.tpr --trj conf.gro --cg water.xml --out conf_cg.gro
Reading file topol.tpr, VERSION 2020.3 (single precision)

-------------------------------------------------------
Program:     GROMACS, version 2018.1
Source file: src/gromacs/fileio/tpxio.cpp (line 3185)

Fatal error:
reading tpx file (topol.tpr) version 119 with version 112 program

[Christoph Junghans]

On Sun, Aug 9, 2020 at 11:10 AM MASON HOOTEN
<mh1...@scarletmail.rutgers.edu> wrote:
>
> Hello,
>
> I believe I was finally able to install VOTCA 1.6.1, but am seeing some a version error when trying to run the tutorial commands. It seems that maybe my VOTCA version is looking for an old version of GROMACS? I separately installed GROMACS 2020.3, manually sourced the commands, and verified that "which gmx" points to the correct version. See error example below. Any thoughts?

This error basically means your csg_stat (VOTCA) was built against an
older version of Gromacs (2018.1) than the one you are currently
running (2020.3).
It is important to note that gromacs-2020 doesn't support tabulated
interactions anymore, so if you are doing coarse-graining you will
have to stick to the 2019 version of gromacs.

Christoph

>
> Best,
>
> Mason
>
> ****
> ~/votca tutorials/csg-tutorials-master/spce/atomistic$ csg_map --top topol.tpr --trj conf.gro --cg water.xml --out conf_cg.gro
> Reading file topol.tpr, VERSION 2020.3 (single precision)
>
> -------------------------------------------------------
> Program: GROMACS, version 2018.1
> Source file: src/gromacs/fileio/tpxio.cpp (line 3185)
>
> Fatal error:
> reading tpx file (topol.tpr) version 119 with version 112 program
>
>

> --
> Join us on Slack: https://join.slack.com/t/votca/signup
> ---
> You received this message because you are subscribed to the Google Groups "votca" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to votca+un...@googlegroups.com.
> To view this discussion on the web visit https://groups.google.com/d/msgid/votca/4a055274-be73-4d2e-860e-b8e8f741cf1bn%40googlegroups.com.



--
Christoph Junghans
Web: http://www.compphys.de