[CSC 335] LAPACK and ATLAS fixed on cobra

Andrew J. Pounds pounds_aj at mercer.edu
Sat Sep 24 14:53:24 EDT 2011


  Well it is not the optimized lapack -- but this quick fix will let you 
use the numerical libraries to compile one cobra with the libraries.  
When you compile you need to tell fortran where to find the libraries.  
Something like the following (where you have your own input)  should work.

gfortran spline.f -L/usr/lib64/atlas -llapack -lf77blas -lcblas -latlas


also, to learn about how to call dgttrf and dgttrs look at the man pages

man dgttrf
man dgttrs

let me know if you have any questions.  Again, the algorithm is in your 
book to solve this system, but I know some of you want to start 
experimenting with lapack for later.

p.s. -- I also requested that "armadillo" be loaded.  Apparently 
armadillo is a series of C++ libraries for numerical linear algebra that 
use lapack/atlas.  I'll let you know what I find out.


-- 
Andrew J. Pounds, Ph.D.  (pounds at theochem.mercer.edu)
Associate Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627



More information about the csc335 mailing list