[Wien] address error

[Peter Blaha]

>    My system is an ATHLON XP 2800+ / 768 MB RAM / SUSE 8.2 / IFC 7.1. I have compiled the ATLAS-BLAS libraries and then, I compiled WIEN2K successfully (NMATMAX = 5000). However, I am having the following troubles with LAPW0 and LAPW1:
> 1.- When I execute LAPW0, I get the following error message: "** Address error ** End of diagnostics ". LAPW0 was compiled with the following options: -FR -mp -w -O3 and environment variables as stacksize, datasize, etc were all set to 'unlimited'. I have also tried to compile it with the option -O0, but the problem still remains.
> 2.- When I execute LAPW1 for one of the examples coming with WIEN2K, I get the following message: "** FPE signal ** End of diagnostics". LAPW1 was compiled with the following options:
>     FOPT = -FR -mp -w -O3
>     LDFLAGS = -L../SRC_lib  -L/ATLAS/lib/Linux_ATHLONSSE1
>     R_LIBS = -llapack_lapw -lf77blas -latlas -lguide -lpthread
> As far as I know, FPE is floating point error but, where does it come from?

Probably the ifc compiler creates code for a Pentium 4 processor, which
has instructions not available on an Athlon.   Try -tpp6 (or even -tpp5),
which targets a P-III cpu.

Eventually try the precompiled executables from our website.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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