[Pw_forum] Scalapack and QE Integration Problem

[Paolo Giannozzi]

On Mon, 2012-12-03 at 20:05 +0800, Iwan Darmadi wrote:

> After scalapack installation, I try to configure (./configure), but
> when I check the make.sys file, I find :
> 
> SCALAPACK_LIBS=

actually "configure" recognizes scalapack only in some selected cases:
big parallel machines, or intel cpus with recent versions of MKL
libraries. In the latter case, configure will use scalapack in MKL

> ./configure SCALAPACK_LIBS = "/home/scalapack_install/lib/"

you should specify the libraries, not the directory where to search
for them. It will be easier anyway to edit the make.sys file: add 
-D__SCALAPACK to DFLAGS, scalapack libraries to SCALAPACK_LIBS

P.

-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy