[gmx-users] Gromacs installation question: Where is my Gromacs?

Justin A. Lemkul jalemkul at vt.edu
Fri Mar 16 20:25:32 CET 2012

bestenborstel wrote:
> Dear all,
> I tried to install today Gromacs.
> I downloaded gromacs 4.5.5, Cuda, FFTW3. 
> Installation of FFTW3 and Cuda went fine so far.
> I managed to execute
> sudo ./configure (in the gromacs untar folder).
> sudo make

The above steps do not need to be executed with sudo.

> sudo make install
> make links did not work and I cannot find gromcas. There is no folder /usr/local/gromacs. I am a bit puzzled as I did install it.

When you say "make links did not work," what happened?  Was there are an error 
message of some sort?  If your installation had been successful, you would 
indeed have a /usr/local/gromacs directory.  The fact that it is not there 
suggests the installation did not actually work.  Perhaps you missed an error 
message somewhere along the way.

If I recall, /usr/local does not exist by default on Mac (I seem to remember 
having to create it myself).  Perhaps that is an issue?  If /usr/local doesn't 
exist, I don't know if Gromacs will create it or not.  Just speculation there.


> I am on MacOSx 10.6.7 and I used Terminal bash during the installation process.
> What can I do now to get Gromacs installed and running, please?
> Thank you.
> Kind regards
> Gudrun 


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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