VASP crashes when NSW is set too high

[Mike07]

Hi,

I have the following problem with VASP when NSW is set too high: VASP crashes just right after the first ionic step. This systematically happens on a P3 cluster when NSW is equal to or above 415. I'm using IBRION = 1. This doesn't happen on an Altix SGI for NSW = 415, but it does happens if NSW = 2000 for example (I haven't tried lower values on the SGI to find when exactly VASP would crash).

However, if I set NSW to a much lower value (200 for example), VASP doesn't crash after the first ionic step, and the calculation is fine on both computers. I'm using VASP 4.6.31

Regards,
Mike