[Octopus-users] Segmentation fault with oct-excite

[Georg Heimel]

Dear All,

After (seemingly) smooth installation of gsl 1.5, fftw3.0.1 and octopus 1.4
on an opteron system with portland group compilers (serial version),
everything seems to work fine appart from the "oct-excite" untility, which
runs up to the progress indicator bar and then crahes with a Segmentation
fault, regardless of any setting in the input file (I have tried a lot).

Having configured octopus with:

./configure CC=pgcc F77=pgf77
FC=pgf90 --with-fft-lib='-L/bredasfs/home/georg/fftw/lib -lfftw3' --with-gsl
-prefix=/bredasfs/home/georg/gsl  --prefix=/bredasfs/home/georg/Octopus --ex
ec-prefix=/bredasfs/home/georg/Octopus CXX=pgCC

and a few other combinations

What could have gone wrong? (Compilation was not a problem)

Any comments are highly appreciated!

Georg

========================================
DI Dr. Georg Heimel
School of Chemistry & Biochemistry
Georgia Institute of Technology
Atlanta, GA 30332-0400
USA
Phone: ++1/404/894 6456
Fax:   ++1/404/894 7452
EMail: georg.heimel at chemistry.gatech.edu
Web:   http://www.muckisnspirit.com
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