[gmx-users] Installing multiple versions of GROMACS together? - program suffix

Justin A. Lemkul jalemkul at vt.edu
Thu Jan 13 22:28:21 CET 2011

devicerandom wrote:
> On 13/01/11 21:01, Justin A. Lemkul wrote:
>>> ./configure --with-fft=fftw3 --prefix=/home/ms872/software/bin
>>> --program-suffix=_453
>>> would have been enough.
>>> However I double-checked nothing in the *tools* directory is compiled
>>> with the _453 suffix.
>>> I obviously don't want analysis tools to be overwritten. I suspect
>>> there's a more elegant solution than renaming by hand: what am I
>>> missing? Thanks!
>> I can't replicate this; the same command works perfectly for me.
> Just to be sure: does this mean you have anadock_453 , demux.pl_453 , 
> do_dssp_453 etc. ?

All except the .pl scripts (demux.pl and xplorgmx.pl), GMXRC*, and completion.*; 
they are not affected.

>> Instead
>> of installing in the same directory where there are existing
>> executables, what happens if you try to install in a fresh directory?
> Uhm, I don't get it - how installing in another directory could change 
> their names? I still don't dare to type "make install" until I see 
> g_hbond_453 instead of g_hbond, for example :)

I wanted to make sure you hadn't simply over-written existing executables, or 
that there was no strange (unexpected) conflict with installing to the same 

If you're worried about what you're seeing assembled in the source tree vs. 
what's installed, don't.  The binary built in the source tree is g_hbond, but 
will be installed as g_hbond_453:

$ make install
   /bin/sh ../../libtool   --mode=install /usr/bin/install -c g_hbond 
/usr/bin/install -c g_hbond /home/justin/gmx453/bin/./g_hbond_453


> m.


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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