Personal tools
You are here: Home The Code Performance and Scale out
Log in


Forgot your password?
 

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
Document Actions
« May 2017 »
May
MoTuWeThFrSaSu
1234567
891011121314
15161718192021
22232425262728
293031