[Wien] cannot run benchmark sample

[Peter Blaha]

> memory, with Redhat Fedora core 2.0). I used intel ifort 8.1 and mkl 7.0 to
> compile the wien2k. The compilation looks successful (no error) with a few
> warning. 
> I can run TiC case. However, when I download the benchmark sample and run "x
> lapw1 -c", it showed error message "Segmentation fault (core dumped)". Could

As far as I know:

Intels ifort8.1 (and even more 8.0) cannot produce "static" executables 
usable for large cases. They have a bug with stack-allocation and larger 
cases will get this "segmentation fault".

If you really need to use ifort8.1, you must link "dynamically" (i.e. 
with "shared libraries"). This implies that you have installed the 
compiler on ALL !!! computers you are running WIEN (or at least have 
copied the corresponding ifort/mkl libraries to all machines, or have 
NFS mounted,...) and you must set a proper LD_LIBRARY_PATH variable. 
I suggest the following options (this is now also available on the 
latest siteconfig): 

FOPT:-FR -mp1 -w -prec_div r8 -pc80 -pad -ip -DINTEL_VML
LDFLAGS: -L/opt/intel/mkl70/lib/32 -Vaxlib -static-libcxa -pthread
R_LIBS:-lmkl_lapack -lmkl_ia32 -lguide

Since I don't use ifort8.1 myself, let me know if you have further 
suggestions or if there are problems. 

I still use ifc7.1 + mkl7.0; which can be linked statically. As far as I 
know this version is still on Intels download site.


                                      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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