[Wien] supercell problem of Al2O3

[Gerhard Fecher]

The Intel homepage tells:

The Intel Fortran Compilers 8.0 or higher allocate more
temporaries on the stack than previous  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
Linux. On Linux, the stack space can be increased
using (e.g. ulimit -s unlimited) for bash shell or (e.g.  
limit stacksize unlimited) for csh shell.

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

So it is seems to be just another handbook-not-read-error. :-(


-----Ursprüngliche Nachricht-----
Von: wien-bounces at zeus.theochem.tuwien.ac.at im Auftrag von swati chaudhury
Gesendet: Di 02.10.2007 08:37
An: A Mailing list for WIEN2k users
Betreff: [Wien] supercell problem of Al2O3
 
Dear all Wien users,
  I want to calculate Al2O3 supercell with slab in Wien2k.Upto 18 Bohr slab, the calculation is o.k with RKmax=5.50 and Rmt=1.66,k-point=1.
  When the slab is 20 bohr, I have got lapw1 error i.e. segmentation fault message.
   I have already done, ulimit -s unlimited -in bashrc.
                                 limit stacksize unlimited-in lapw0para &x_lapw .
   
  So ,what can I do now? Please suggest me.
  Thanks.
  swati     

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