[Wien] still trouble compiling

[Kevin Jorissen]

See an e-mail from S. Cottenier from some weeks ago:
I had the same problem today. It seems something changed from mkl5.2 to
mkl6.0: now mkl contains a function lsame, and accidentally another function
with the same name is already used in lapack_lapw1.f. That causes a
conflict.
You can solve it by renaming all the 229 occurences of LSAME in
$WIENROOT/SRC_lib/lapack_lapw/lapack_lapw1.f by another name (e.g. LLSSAME).
For instance by using emacs:

emacs lapack_lapw1.f
F4 (the key)
LSAME
LLSSAME
!
Ctrl-x Ctrl-c

And then compile everything.

I assume the authors will have to make a similar change, in order to keep
wien2k compatible with mkl. As said earlier today: "Intel cleverly keeps
changing mkl every few weeks..."

Stefaan



Kevin.



----- Original Message -----
From: "Michael Frotscher" <frotscher at chemie.uni-hamburg.de>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Friday, July 25, 2003 11:30 AM
Subject: [Wien] still trouble compiling


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Hello, wien-ML,

As my compiled Wien2k was not running as smoothly as expected, I thought it
to
be a good idea to recompile. I use the setting for the intel ifc-compiler
together with the mkl6-ilb (I also have ATLAS compiled and installed, but
using that produces lots of error messages, so I guess I'll be sticking with
mkl for now). I adjusted compiler flags and libraries according to
http://www.wien2k.at/reg_user/faq/OptimizingWIEN2k.htm#_Compiling_and_linkin
g
- - is that still the correct way to do it?

I've now tried several attempts with the same options and the error messages
are different every time. Some do occur always, though:

SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapwso/compile.msg:make: *** [lapwso] Error 1

I have attached the appropriate compile.msg-files.
What am I doing wrong? It can't be that hard...

Thanks in Advance,
- --
Michael Frotscher
Institut für Anorganische und Angewandte Chemie
Universität Hamburg


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