Source directory not working

User discussions
1

GROMACS version: 2021.4
GROMACS modification: No

I installed gromacs in another location (other than /usr) by putting a prefix on the link when doing the following command:

make install DESTDIR=/home/swankowicz

The correct folders exists here and I change the following lines in the source file, but I am not able to source GROMACS. I get no error message but I am not able to run any command.

GMXRC:

echo $shell | grep -q csh && goto CSH

# if we got here, shell is bsh/bash/zsh/ksh

. /home/swankowicz/usr/local/gromacs/bin/GMXRC.bash

return

# csh/tcsh jump here

CSH:

source /home/swankowicz/usr/local/gromacs/bin/GMXRC.csh

GMXRC.bash:

GMXPREFIX=/home/swankowicz/usr/local/gromacs

2

The installation location is set at configuration time via -DCMAKE_INSTALL_PREFIX, not via DESTDIR when installing. The default is /usr/local/gromacs, but that’s not going to be found within your home directory tree.

3

Thank you for that. I re-made/installed with -DCMAKE_INSTALL_PREFIX however source is still not working.

4

Did you locate the GMRCR file? if yes what was your source command?

5

Please provide complete commands for everything you’re doing, from the initial cmake onward, including how you’re trying to source GMXRC.