[Wien] Version 7.1 a problem

[Gerhard Fecher]

Hi Peter,
thanks for the new version.

I was able to compile it without errors on a ia32 and a em64t system.

For one of my usual systems (Co2FeSi, 225, 5.64A) I received the
following message after regular initialisation and start of scf.

'SELECT' - no energy limits found for L= 1
 'SELECT' - E-bottom    1.35000   E-top -200.00000

or a QTL-B error that never appeared before, the error appeared on both
systems (ia32 and em64t).

When I initialised the system with the 06.4 Version and was then
running 07.1, the convergence went well without errors and the new
-eece was running, too.

I realized that kgen reports in w2web during initialization 1 1.0
whereas the old version puts there usually a 0. I checked all *.in and
some other files but could not detect differences. maybe something is
read not correctly or incorrectly processed by one of the scripts.

The compilation was on a 760 (ia32) and a D830 (em64t) system with the
latest Intel compiler and (free) mkl version and SUSE 10.1 installed,
OPTIONS are (note: only the xProcessor switch was different xB, or xP
and the different libraries for em64t)

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -O3 -xB
current:LDFLAGS:-no-ipo -L/opt/intel/fc/9.1.041/lib -lguide -lsvml -lpthread
current:R_LIBS:-no-ipo -L/opt/intel/mkl/8.1/lib/32 -lmkl_lapack -lmkl_ia32 -lguide -lsvml -lpthread

Ciao
Gerhard
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