[SIESTA-L] fundamental siesta parallel compilation question

Hello all I am trying to compile Siesta and required packages (BLACS, scalapack) from scratch. However do I have to use the SAME Fortran compiler for all packages? Or can I use GNU f77 for BLACS & scalapack and LaheyFujitsu lf95 for mpi and SIESTA ? Kind regards Marcel Mohr

Re: [SIESTA-L] fundamental siesta parallel compilation question

Dear all, I made it to run Siesta in parallel. I finally downloaded the intel compilers to reduce problems, compiled blas, lapack, scalapack, mpich, siesta. I used the guides from Sebastian le Roux and Marcos Verissimo Alves. (Using the optimised mkl did not work either). However, I encounte

Re: [SIESTA-L] fundamental siesta parallel compilation question

Hi Marcel, Maybe it's best to use lf95 for everything, even with eventual preprocessing (that means, if some files have to be preprocessed, use the lahey cc instead of the gnu cc preprocessor). My experience is that, if you use the intel compiler, you can use gcc along with ifort. I compiled every

Re: [SIESTA-L] fundamental siesta parallel compilation question

Hi Marcel, You should use the same compiler. If you change from one to another the compilation is going to be a nightmare. It is possible but really, really tricky. Regards, Eduardo OK, thanks. Now I think I did use the same compiler , only I used a precompiled ATLAS library. (The question

Re: [SIESTA-L] fundamental siesta parallel compilation question

On sep 6, 2006, at 7:07 PM, Marcel Mohr wrote: Hi Marcel, You should use the same compiler. If you change from one to another the compilation is going to be a nightmare. It is possible but really, really tricky. Regards, Eduardo Hello all I am trying to compile Siesta and required pack