Well, Sebastian's guide is pretty much all you need. Just an additional remark: check if you really need to install the libs. For instance, your cluster may have the ESSL package installed, which includes the most widely used math libraries, in particular, LAPACK and BLAS. If this is the case, you should use the available optimized libraries.
2006/11/15, Jess Kondor <[EMAIL PROTECTED]>:
On 11/15/06, Vasilii Artyukhov <[EMAIL PROTECTED]> wrote: > > RTFM! Everything is said in the corresponding readme's of the libraries. > First, you should install MPI, then ATLAS (it is required for the > following), then MPIBLACS and SCALAPACK. Then, in theory, you can go for > SIESTA. > > Don't forget to specify the "Add_" option when compiling the libraries > and to configure the SIESTA makefile with --enable-MPI. > In fact, you need also LAPACK (ATLAS contains only BLAS and small part of LAPACK). Then, playing with different options of BLACS, you can get a parallel version of SIESTA (in practice!). BTW, such strong recommendation as RTFM suggests much more expertise in the compilation than the user has demonstrated. Good luck, JK