Fen, Obviously is is not possible to use g77 to compile siesta, since it is written in Fortran 90 and g77 is a Fortran 77 compiler. However, you can simply download and install good free (gpl-wise and money-wise) fortran 90 compilers. It could even be that your system has gfortran already installed, which will work with siesta. Any Fortran 90 compiler should be able to compile pgplot, since Fortran 90 compilers also compile Fortran 77 programs.
However, if you want more efficiency, you can get g95 and ifort - the latter would be the most efficient of them all. Both of them compile siesta - for ifort, it is best to use version 10.1 and mkl 10.0 for the moment. There are many arch.makes on the list for this, just do a search on the archives. I have managed to compile and run siesta 3.0-rc2 and lda+u for a simple cases using ifort 11.1 and the mkl libraries that come with it, but I had to disable XML writing, and I haven't tested it further. I have already sent the compilation instructions to the Siesta team administrator for testing, and I can post them on the list if you wish - but I do not take any responsibility over the results, nor will I provide support for compilation with ifort 11.1. It will be up to you to check that everything compiles fine (and work out any problems you might have for compilation), that there are no execution errors, and that most importantly, that the numerical results are consistent with your earlier compilation. Cheers, Marcos On Fri, Jul 23, 2010 at 9:46 AM, Fen Hong <[email protected]> wrote: > Dear all , > I want to check the *.IOCH file while the pgplot library is nessary. > The compiler should be same between the siesta and pgplot. > I tried to use f95 to compile the pgplot, but failed. > So I want to use g77 to compile siesta, is it possible? how to do it ? > Yours, > Fen >
