[Wien] first run wien2k_4 problem
Jorissen Kevin
Kevin.Jorissen at ua.ac.be
Tue Nov 23 22:48:25 CET 2004
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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