Hello all,
I am doing optical properties calculations on a super cell of ~60 atoms, and need to use a very dense kpoint mesh to accurately capture the optical properties.
I have been using KPAR to increase efficiency but I still have not converged the optical properties of my supercell convincingly, and my next step requires 1200 kpoints. Using the scaling of kpar and nprocs that I have been this next job will be with KPAR=6 and nprocs = 768.
Does this kind of massive parallelization affect my VASP output? And should I try and reduce my memory requirements elsewhere? Or can VASP effectively handle being parallelized over 700+ processors?
How many processors can I use with KPAR Paralellization?
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hachteja
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How many processors can I use with KPAR Paralellization?
Last edited by hachteja on Thu Oct 17, 2013 5:02 pm, edited 1 time in total.
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support_vasp
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Re: How many processors can I use with KPAR Paralellization?
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