[Wien] Problems with Wien2k_06.4

[Gerhard Fecher]

Dear Peter,
the code in SRC_ncmsymmetry compiles on my computer (D820, Wien2k_06.4, SUSE 10.1, ifc 9.0.031, mkl 8.0 .006) only correctly if I use -O0, that is without any optimizations. In my case I changed just that makefile and kept all others
with full optimization.
Is there anything in the code changed that might lead to overoptimization with -O2 (default) or -O3, 
sometimes the compiler does not like how continuations in
lines with subroutine calls are made
            call xyz ( a, b,
     &                 c, d) 
should be fine, whereas sometimes (I could not figure out when)
            call xyz 
     &      ( a, b, c, d)
or 
            call xyz ( 
     &                 a, b, c, d)
leads to strange errors or compiler crashes (the last time I had this was with ifc 8.0,
but may be its still there just in a different way). 

The strange gcc-lib error that I experienced (see old mail) appeared
when I used the script file for Volume optimization produced by an older Version of this year (sorry its already deleted, I cannot figure out which one). After I produced the script file with the new Version, it was running fine, without errors.
Is there anything changed in the code that may conflict with language settings?

Even if reported earlier by someone else, I like to mention: In the present Version one should use depending on the Linux Version
-no-ipo as first parameter in the Linker flags,
to avoid strange IPO errors during Linking.

Ciao
Gerhard
         


-----Ursprüngliche Nachricht-----
Von: wien-bounces at zeus.theochem.tuwien.ac.at im Auftrag von Gerhard Fecher
Gesendet: Mi 06.09.2006 16:09
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Compiler crash in src_structeditor
 
I have a problem compiling the latest Version of Wien2k.
The compiler (9.0.031, mkl .006) crashes with a segmentation fault during compile in structeditor.

lapw0 does not run : gcc-lib error corrupted double link

(System, D830, em64t, Suse 10.0 and 10.1)

did someone experience similar problems ?
would be nice to know before I start down-stepping the compiler version.

I tried rather every setting possible for Linker and R-lib options, starting with the suggested one.


Without -no-ipo it doesn't link at all.

Ciao
Gerhard
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