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Performance and Scale out

In this page we show the performance and the scale out of the latest release of CPMD.

Test Cases

Here below, we present 4 test cases to show the CPMD performance and scale-out capabilities.

Case Nr. 1: 32 Water Molecules

 

 
32 Water Molecules

Case Nr. 2: Lithium Peroxide (1536 and 576 atoms)


 
Li2O2 Performance and Scale-out

Case Nr. 3: Silicon Carbide (1000-8000 atoms)

 
 
Silicon Carbide

Case Nr. 4: Exact Exchange - New Parallel Code

The new implementation will be available in the forthcoming CPMD release (available from version 3.17.1).

 
 
Scaling Performance of the HFX code
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