AW: [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1,

[Martin Kroeker]

Seeing that you probably are in a non-ascii locale, you could try setting
LANG=C before invoking lapw0 (though i doubt that it cures segmentation
faults). Try compiling without the -O (or possibly with -g for additional
debugging support) to see if this solves the problem by omitting some
unhealthy optimization (or even just by shuffling things around in memory).

If you want to try gcc's gfortran, be sure to use one of the recent 
development builds from http://quatramaran.ens.fr/~coudert/gfortran/ - 
when i tried it at the end of last year, the version in the stable gcc-4.0.2
release worked well for lapw1 (i.e. the wien2k test_case benchmark), but
gave wrong results when a full cycle was run with gfortran-compiled 
binaries. (Though it is most likely just coincidence that the problem 
appeared to be somewhere in the lapw0 binary). It also failed to compile 
one of the source files of spaghetti. (Same results were obtained from the 
g95 compiler - a split-off from gfortran over licensing and ego disputes).

gfortran snapshots are ok, but unfortunately do not appear to be compatible
with the binary-only libgoto at the moment, which makes them run 20% slower 
than the binaries on the wien2k download page (the gcc402+libgoto lapw1 was 
even slighlty faster than Peter's binaries in the benchmark run).
 
Martin
-- 
Dr. Martin Kroeker            martin at ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Caroline Roehr
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg