I am having problems running the NEB method on a SGI Altix 4700 machine, while it runs fine on a HP XC machine. The input files are exactly the same on both and the SGI Altix machine runs all other calculations perfectly except the NEB ones. In the NEB case the process simply freezes before any actual ionic/electronic minimization steps are actually done. It simply pauses after this step:
Maximum index for non-local projection operator 618
Maximum index for augmentation-charges 255 (set IRDMAX)
Has anyone experienced a similar problem?
NEB and Altix Machines
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dnrl
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NEB and Altix Machines
Last edited by dnrl on Thu Jul 10, 2008 6:14 pm, edited 1 time in total.
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support_vasp
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Re: NEB and Altix Machines
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.
Best wishes,
VASP