[Wien] ifort (ifc) 8.0 and mkl 6.1

[Lutz Rauscher]

Dear All,

I hope has not yet been discussed; I lost track a bit... I compiled Wien2k
with ifort (ifc) 8.0 and mkl 6.1 and there are two "known issues" that need
to be considered if you do so:

1. ifort troubles with a static linked pthreat library. The easiest thing is
just to omit the -static linker option. If you really need the static
linking there's another workaround described in the release note involving
the nptl-devel package, but I didn't try.

2. For larger cases you get segmentation faults anyway, because ifort "[...]
allocates more temporaries on the stack than previous Intel Fortran
compilers. If a program has inadequate stack space at runtime, it will
terminate with a Segmentation fault or Signal 11. The stack space can be
increased with the ulimit -s unlimited command (in bash shell) or limit
stacksize unlimited (in csh shell)".

That does the trick and Wien2k seems to run smooth - at least for my cases.
It would be interesting whether anybody has still problems.
Its maybe worth to try, it seems to be quite fast: I measured 228s for the
benchmark test on a 3.2 GHz P4, 512kB L2 with 400MHz dual bus memory.

Regards, Lutz