[gmx-developers] gsl

Jason de Joannis jdejoan at emory.edu
Tue Mar 20 17:03:59 CET 2007

Are you sure? My gsl (v1.9) is located in /usr/local/lib. I ran 
configure with --with-gsl. The output of make does not include the 
-lgsl or -lgslcblas flags and it gives an error:

  undefined reference to `gsl_rng_env_setup'

I am not so knowledgable about inner workings of the auto-tools, so I 
appreciate the help. I did not find gmx_kinetics in my gromacs 3.3.1. 
There is a reference to this function in one of the header files though.

Perhaps I have to add certain environment variables to the configure 


Quoting David van der Spoel <spoel at xray.bmc.uu.se>:

> Jason de Joannis wrote:
>> Hi, I want to call functions in the GSL (GNU Scientific Library) 
>> from Gromacs. I am looking to copy the method used for MPI and FFTW, 
>> but still a little confused and could use some help.
>> /Jason
> In 3.3.1 you can compile gromacs with the gsl, as a matter of fact it 
> will be linked in if it is found on your computer. See the program 
> src/tools/gmx_kinetics where it is currently used (if the library is 
> found).
> -- 
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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\ Jason de Joannis  \
\ Emory University  \
  \ jdejoan at emory.edu \
   \ 404-402-1332      \

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