[Wien] first run wien2k_4 problem

[Bohdan Andriyevsky]

Jorissen Kevin

Dear Kevin,
Thank you for the reply.
When I run 'siteconfig', option O (specify compiler options),
the following communication appears:
...
I could not find the path to the mkl-library (/opt/intel/mkl70/lib/32/)
...
But, mkl is placed here. What I have to do?

The following communication is found in compile.msg of SRC_lapw0
"ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c modules.F
make[1]: ifort: Command not found"

Similar communication are in the 'compile.msg' file  of SRC_lapw1:
"ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -c modules_tmp_.F
make[1]: ifort: Command not found"

What I have to do?

Thank you very much in advance for your reply.

Bohdan

Bohdan Andriyevsky
Technical University of Koszalin
Sniadeckich Street 2, 75-453 Koszalin, Poland
tel.: +48 94 3478690, +48 508070029

On Tue, 23 Nov 2004, Jorissen Kevin wrote:

> No, you have not compiled the wiencode ;-).
>
>
>
>
>
> ***  Can I assume (from 'error in lapw1') that you ran initialization and lapw0 without problems?  If so, then you probably have a compilation error in lapw1.
>
> Go into $WIENROOT/SRC_lapw1.  Does it contain executables lapw1(c)?   And look at compile.msg and try to find any errors.
>
>
> *** If you cannot run anything, then somehow, the script siteconfig has not worked.
> Have you paid attention to its output?  Did it complain?
> Run it again, try to compile everything (or start with just lapw1).
> Do you see compilation errors?
> Do the SRC_*/compile.msg files contain anything?
> Do the SRC_*/Makefile look reasonable (only the first lines with compiler options)?
> Do the SRC_* directories contain executables?
>
> What does $WIENROOT contain?  Nothing?  Only scripts?  Some executables?
>
>
>
> Kevin Jorissen
>
> EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
> Dept. of Physics
>
> UA - Universiteit Antwerpen
> Groenenborgerlaan 171
> B-2020 Antwerpen
> Belgium
>
> tel  +32 3 2653249
> fax + 32 3 2653257
> e-mail kevin.jorissen at ua.ac.be
>
>
> ________________________________
>
> Van: wien-admin at zeus.theochem.tuwien.ac.at namens Bohdan Andriyevsky
> Verzonden: di 23-11-2004 20:55
> Aan: wien at zeus.theochem.tuwien.ac.at
> Onderwerp: [Wien] first run wien2k_4 problem
>
>
>
> Dear WIEN2k Users,
> I have compiled WIEN2k_4 source code.
> After first start of SCF cycle of wien2k_4 within w2web ("start of SCF
> cycle" button), I have read in STDOUT the following communication:
>
> LAPW0 END
> /home/wien2k_4/Source_Code/lapw1: command not found
>
> Really I have no found the file "lapw1" in my main directory /home/wien2k_4/Source_Code.
> What I have to do to resolve this problem?
>
> Thank you very much in advance for your reply.
>
> Regards,
> Bohdan Andriyevsky
>
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>