[gmx-users] luck works but demo fails

Mark Abraham mark.abraham at anu.edu.au
Fri May 14 03:52:27 CEST 2010

----- Original Message -----
From: Emily Curtis <emilymariecurtis at gmail.com>
Date: Friday, May 14, 2010 5:12
Subject: [gmx-users] luck works but demo fails
To: gmx-users at gromacs.org

> I think that I finally managed to get gromacs installed correctly.  When I type luck in the command line I get a random phrase.  When I try to run "demo" I get the following error messages:
dyld: Library not loaded: libmkl_intel_lp64.dylib>   Referenced from: /Users/emily/gromacsfolder/bin/pdb2gmx>   Reason: image not found> 
> I think that I have sourced the correct folder by typing:   
> source /Users/emily/gromacsfolder/bin/GMXRC> 
> Does anyone have any idea what I could be doing wrong?  Thank you for any help.

Your dynamic linking is not working. Read the MKL documentation pertinent to your platform and try again from the configure step. Alternatively, roll your own FFTW per the instructions on the GROMACS webpage.


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