[Wien] Error in initialization stage

[Peter Blaha]

You are running out of memory.
You cannot run 70x30x30 unit cells on a PC and in sequential mode.

Am 22.12.2015 um 22:00 schrieb Hu, Wenhao:
> Hi, All:
>
> I met a problem in the initialization stage. I’m currently testing the effect of distance between clusters in nano wire calculation. When the distance is small (size of unit cell is small), everything is initialized properly. When I increase the distance until the size of unit cell is as large as 70x70x30 in bohr, I met the following problem:
>
> dstart -c -p	(14:31:23) running dstart in single mode
> Segmentation fault
> 13.207u 0.136s 0:13.62 97.8%	0+0k 0+18312io 0pf+0w
> error: command   /Users/wenhhu/wien2k14/dstartpara -c start.def   failed
>
> Can anyone tell what is this error? And How can we solve it?
>
> Best,
> Wenhao
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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