Hi Szilárd,
Many thanks for the idea to keep the multiple versions!
Gregory
On 3/2/17 2:22 PM, Szilárd Páll wrote:
Hi Gregory,
If you have installed in the default system location, you definitely
should clean up before you install a new version (if you did not
change the default path, you can just remove /usr/local/gromacs).
However, you can keep multiple installations and simply use whichever
you need? All you need to do is pass e.g.
-D CMAKE_INSTALL_PREFIX=/somepath/gromacs-2016.2
to the cmake invocation and before using the new installation do
source /somepath/gromacs-2016.2/bin/GMXRC
This way you can easily switch between versions, compare, or keep
working concurrently on different projects with the same version that
you started out with!
Cheers,
--
Szilárd
On Thu, Mar 2, 2017 at 6:02 PM, Gregory Poon <gp...@gsu.edu> wrote:
Hello all:
I would like to get some advice on updating/upgrading an existing GROMACS
installation. I realize that this may actually be a more general
UNIX/ubuntu question, but I really would like to not foul this up on the
local machines that we really need to keep running. In particular, could I
do something as naive-sounding as renaming the existing folder in
/usr/local/ and proceeding with a new installation? Would linking to the
GPU library complicate matters?
If it matters, we have machines that are running 5.1.4 and 2016.1 that I
would like to have 2016.2 running.
Many thanks in advance,
Gregory
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