My Community

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

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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VASP