[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
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