[Wien] WIEN2k and gfortran

[John Rundgren]

Dear WIEN2k team,

siteconfig and User's Guide can be updated concerning gfortran and BLAS:

 L Linker Flags:         $(FOPT) -I /opt/OpenBLAS/include -L/opt/OpenBLAS/lib
 R R_LIB (LAPACK+BLAS):  -lopenblas -lpthread -lgfortran

OpenBLAS being available from the sites

www.openblas.net and https://github.com/xianyi/OpenBLAS/wiki/Installation-Guide

In a test taking 2.5 h/iteration gfortran/ifort time was 1.3. A current test got interesting when one of my disks containing ifort crashed.

Regards,
John Rundgren

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161205/695e5d61/attachment.html>