[CP2K-user] [CP2K:20823] Memory error in CP2K

[Naina Sethi]

Hey CP2K users,
I am facing an issue with the memory while trying to optimise a molecule 
using CP2K. While using energy cut off of 450Ry the calculation runs 
smoothly, whereas with 800Ry the calculation doesn't even start with the 
first step of optimization cycle. Can someone please suggest any keyword, 
that can help running the calculation with 800Ry.  I have attached the 
input for reference.

The following error persists:







*In file 'ps_wavelet_kernel.F90', around line 1160: Error allocating 
1526169600 bytes: Cannot allocate memoryError termination. Backtrace:In 
file 'ps_wavelet_kernel.F90', around line 1160: Error allocating 1526169600 
bytes: Cannot allocate memoryError termination. 
Backtrace:--------------------------------------------------------------------------*

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