Hi Michael & Wien2k users,

I too have attempted a compile with ifort 8.0 and found that it produced buggy code. It's particularly nasty because the errors only show up for certain cases. (Note: ifort = ifc, intel can't make up their minds what to call their compiler.)

I've attached a struct file that crashes lapw0 (with segfault) in the very first scf cycle when Wien2k is compiled with ifort 8.0. Same case (with identical initialisation) runs fine when ifc 7.0 is used to compile Wien2k.

Also Note:
 - Wien2k_03 version: 23rd December 2003
 - System: Red Hat 7.1 / Pentium 4
 - Compiler optimisation options don't seem to make a difference
 - ifort 8.0 produces buggy code either with MKL or with generic BLAS/LAPACK

Steve

Michael Gurnett <michael.gurnett@kau.se> wrote:
> Have just done a new compile of Wien2k using the new i_fort 8 compiler
> from
> intel (mkl 6.1 was used also with p4 optimisation). However, now I get an
> error in nn that "libcxa.so.5" is missing. Has anyone come across this
> problem, and if so what do I need to do to fix it.
> 
> Also could someone give some advice on setting up a cluster using ssh (4
> pc's running red hat 7.3)
> 
> best wishes
> 
> 
> Michael
> 
> 
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