[Wien] wien2k_4 installation

[L. D. Marks]

This has come up enough times that it should probably be included in a
(very short) FAQ. You are fortunate that whoever manages your system has
already told you what to do -- the message is correct.

1) Do not use -static in the compilation. Intel & Linux disagree about
some thread libraries so the -static option rarely works with the
more recent Redhat/ifc combinations (and I believe other linux versions).

2) Ensure that the environment variable LD_LIBRARY_PATH is set correctly.
It should point to the location of the intel libraries, e.g. /opt/intel_fc_81/lib
if they are installed in the default location. To check:
	a) Type "echo $LD_LIBRARY_PATH" and see if it is correct.
	b) Go into a csh (i.e. type "/bin/csh") then do the same. Since
the Wien scripts are primarily in csh this is more important than a)

3) Ensure that $HOME/.cshrc contains a line
	"limit stacksize unlimited"
If you do not have this you will run into numerous problems with anything
except a very small calculation.

Some of these might almost be worth including in user_config, but I don't
know if they work on all linux/unix variants.

I would also strongly suggest that you read the man page for ifort. There
are several optimizations (-ax?? -O3) which can gain you 10-20% in speed.

On Thu, 2 Dec 2004, Bohdan Andriyevsky wrote:

> Dear WIEN2k Users,
> When I start installation of WIEN2k_4 using 'siteconfig' with Linux
> (Intel ifort 8.1 compiler + mkl 7.0 ), the following communication
> arrise: "Please note: At present static executables are not possible
> with the current ifort 8.1 version. You must have proper LD_LIBRARY_PATH
> on all your machines".
> What I have to do for the correct installation of WIEN2k_4 taking into
> account this communication?
> Thanks in advance for your reply.
>
> Bohdan Andriyevsky
>
>
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>

-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L - marks @ northwestern . edu
http://www.numis.northwestern.edu
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