[Wien] error in init phonon lapw calculations with 3x3x3 supercell

Chandrika rcais at cal3.vsnl.net.in
Mon Jul 31 08:17:17 CEST 2006


Hello Wien users,
I am working with a SiC supercell (3 X 3 X 3)constructed with 'Phonon'. After I transferred the .d45 file to Wien and ran init_phonon_lapw I get an error message after dstart that says 

fortrl : severe (41): insufficient virtual memory.

The super cell has 216 atoms. 
RMT*Kmax = 3.7; 
RMT =1.76; 
k points =2
plane waves generated = 711879.
My system is P IV,  has 2GB RAM and a swap space of 5000 MB. Stack size unlimit has also been done.
Calculations with a smaller supercell (2 X 2 X 2) works fine.
Any suggestions on how to resolve this problem will be most appreciated.
Thank you for your help.
Chandrika
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