My Community

I have a question regarding memory usage

Our system configuration is
Processor : Quad-Core, Quad-Socket(16 cores)
Memory : 64GB per compute node

I am trying to do a relatively big job with 1X1X1 KPOINTS

Ididnot set any NPAR value but have set the LREAL=T
and in the OUTCAR i see this line

total amount of memory used by VASP on root node 104814. kBytes


So it looks like VASP requires >100GB of memory for the job ..??

am i using the resources properly ..or not ..?
or should I make some setting to use the resources more efficiently ...
With Higher KPOINTS my job doesnt seem to start at all
hope to get some insight
<span class='smallblacktext'>[ Edited ]</span>

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