[Wien] SIGSEGV, segmentation fault occurred!

[Gerhard Fecher]

Both, youre ifort and mkl versions have still bugs or at least some problems with Wien, see my earlier comments in that forum.
I suggest to downgrade to the more stable versions: ifort 10.0 mkl 9.1,
both are avalable for free from the Intel webpage.

Why do you use the 32-bit libraries if you have an em64t system ?
The 2 GByte restiction does not appear for the em64t versions of libpthread.

Why do you need any static linking, do you intend to distribute the program to computers were the ifort and mkl are not installed ?
If you do not then don't use it.

For those that still belive in the ulimit, see below.

Gerhard

The {\scshape Intel} homepage tells:}
\label{sec:tiht}

The {\scshape Intel} Fortran Compilers 8.0 or higher allocate more
temporaries on the stack than previous {\scshape Intel} Fortran
compilers. Temporaries include automatic arrays and array sub-sections
corresponding to actual arguments. If the program is not afforded
adequate stack space at runtime relative to the total size of the
temporaries, the program will terminate with a segmentation fault on
{\scshape Linux}. On {\scshape Linux}, the stack space can be increased
using (e.g. {\it ulimit -s unlimited}) for bash shell or (e.g. {\it
limit stacksize unlimited}) for csh shell.

For {\scshape Intel} Fortran Compilers 10.0: The heap-arrays compiler
option directs the compiler to put the automatic arrays and arrays
created for temporary computations on the heap instead of the stack.

Note: The size of {\it "unlimited"} varies by {\scshape Linux}
configuration, so you may need to specify a larger, specific number to
{\it ulimit} (for example, 999999999). On {\scshape Linux} also note
that many 32bit {\scshape Linux} distributions ship with a pthread
static library ({\it libpthread.a}) that at runtime will fix the
stacksize to 2093056 bytes regardless of the {\it ulimit} setting. To
avoid this problem do not link with the {\it -static} option or the
{\it -fast} option. Instead of {\it -fast}, use options: {\it -ipo -O3
-no-prec-div -xP}. This only affects the 32bit {\scshape Linux}
distributions and does not apply to the 64bit {\scshape Linux}
distributions.

________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von hongch [hongch at hiroshima-u.ac.jp]
Gesendet: Freitag, 28. März 2008 20:57
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] SIGSEGV, segmentation fault occurred!

I have search the mail-list ,this problem maybe cause by using
unsuitable compile parameters.
But I have successful compiled the wien2k08 with the arguments:

 O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ipo
-DINTEL_VML -O3 -xT -threads -traceback
 L   Linker Flags:            -L/opt/intel/fc/10.1.012/lib -Bstatic
-lguide -lguide_stats -lsvml -Bdynamic -lpthread
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     -L/opt/intel/mkl/10.0.1.014/lib/32
-Bstatic -lmkl_lapack -lmkl_ia32 -lguide -Bdynamic -lpthread
for my system intel core2 qudra 6600, and the compiler is
ifc 10.1.012 ; mkl 10.1.012.

after compile, I have running a simple structure fcc Pb, and there is no
any error occurred.
but when I construct a more complex structure Pb-surface ,in the first
it also running well and converge at last.
but when I running  the MINI the error  "SIGSEGV, segmentation fault"
occurred!
It show:
LAPW0 END
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC        Routine            Line
Source
.                  40000402  Unknown               Unknown  Unknown
lapw1              084619DB  Unknown               Unknown  Unknown
libpthread.so.0    0010650B  Unknown               Unknown  Unknown
libc.so.6          00D3CB2E  Unknown               Unknown  Unknown
>   stop error
then I delete all the files except .struct and .inst file and try to
running with the origin structure, but this error also occurred.

I am puzzle , it is bug for the compile or others.
PS: theOMP_NUM_THEADS=1
    "ulimit...."have used in .bashrc.




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