[Octopus-users] parallel compilation

[Alberto Castro]

> After reading the manual, wiki, and what I found on Internet
> (including a configure for intel processors, while I have opterons),
> it seems that the chances to get octopus compiled for parallel
> execution are minimal for a common user. The same compiler is required
> for all libraries and octopus itself. I have no idea which FORTRAN
> compiler was used by Debian for the libraries, which are mostly
> available on lenny.

gfortran.

> So that I have no idea which compiler to use for
> the extra needed libraries, such as sparskit and etsf_io. I have also
> to forget using my installation of Intel compilers, version
> 10.1.022-1, and mkl libraries, version 10.1p-024, because Debian does
> not use Intel compilers.

If you want to use the intel compilers, you probably will have to
recompile the libraries with intel. Yes, it is boring, but it is
usually striaghtforward. But I'd try gfortran first.

>
> As a common user, the prospect of compiling octopus parallel is
> absolutely discouraging. Otherwise, for the heavy job to do, the
> serial compilation available as a binary is not even to try.
>
> Am I too pessimistic? Thanks for help, if this is the case.

I think you are too pessimistic. Quite a few "common users" have
compiled it and used it for parallel use. Just give it a try!

Cheers, Alberto.


>
> francesco pietra
> _______________________________________________
> Octopus-users mailing list
> Octopus-users at tddft.org
> http://www.tddft.org/mailman/listinfo/octopus-users
>

======================================================================
Dr. Alberto Castro

Instituto de Biocomputación y Física de Sistemas Complejos (BIFI),
Corona de Aragón 42,
50009 Zaragoza, España.

Temporarily at:

Departamento de Física Teórica, Facultad de Ciencias,
Universidad de Zaragoza,
Pedro Cerbuna 12,
50009 Zaragoza, España.

Tel:   +34 976761000 3332
skype: alberto_c_barrigon
email: alberto at physik.fu-berlin.de
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