[gmx-users] Compiling Gromacs 4 using Intel Compilers

[Mike Hanby]

Howdy,

I'd like to use "--with-external-blas --with-external-lapack
--with-fft=fftw3 --with-gsl" and the Intel v10.1 compilers on a Linux
(Centos 5 x86_64) system.

My question, do I first need to compile blas, lapack, fftw3 and gsl
using the Intel compilers, or will the libraries that are already
installed on the system suffice (most likely compiled with the Gnu
compilers)?

If yes, all four packages, or just a subset?

Thanks