[Wien] wrong with rkmax

[Peter Blaha]

We need more details, nobody can help with such an error message.

Where does it happen:  lapw2 ?? or which program ...

First iteration, or after a couple of scf cycles ..??

Any info on how far the failing program came (how long did it run ?
case.dayfile); is there anything in the outputXX file ? ...

What is your struct file ?? "A single Ti atom" could mean a big calculation if
you are using a too large supercell and small RMTs


Am 17.04.2014 03:19, schrieb eagle ying:
> Dear oleg:
>      Thanks for your response. The memory usage is neglectable cause the calculation is only about one atom and my memory is 3G. As I do the command line:ulimit -s
> unlimited as you suggested, the stack size is unlimited as ulimit -a suggested. But the same error still occurs.
>
> 2014-4-16 下午8:08于 "Oleg Rubel" <orubel at lakeheadu.ca <mailto:orubel at lakeheadu.ca>>写道：
>
>     The problem could be related to the stacksize. Consider setting it to unlimited. The command line looks different under different environments. Here is one possibility:
>
>     $ ulimit -s
>     $ ulimit -s unlimited
>
>     You can also check the memory usage during the run via
>
>     $ top
>
>
>     Oleg
>
>
>     On Wed, Apr 16, 2014 at 3:57 AM, leithron at gmail.com <mailto:leithron at gmail.com> <leithron at gmail.com <mailto:leithron at gmail.com>> wrote:
>
>         Dear users:
>              When I  am  trying to do a test of total energy and EFG as a function of RmtKmax for a single Ti  atom, errors happened after seting rkmax as 9.0 and any value
>         bigger: forrtl:severe(174):SIGSEGV,segmentation fault occured; stack trace terminated abnormally.
>             Any help will be appreciated. Thanks in advance.
>
>
>
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------