Usage

To use Pantea in a project:

import pantea

Just-In-Time (JIT) compilation is a technique used by Pantea to improve performance by compiling code at runtime. It’s important to note that the first time the function is called, it can be significantly slower than subsequent calls. This is because JAX library under the hood needs to compile the function’s code and optimize it for the specific inputs it receives.

To mitigate this overhead cost, it’s recommended to call the function once with representative input data before timing or benchmarking it. This is commonly referred to as a warm-up call.

Warm-up call

%time potential(s)
CPU times: user 6.59 s, sys: 410 ms, total: 7 s
Wall time: 5.12 s

%time potential.compute_force(s)
CPU times: user 35.8 s, sys: 437 ms, total: 36.3 s
Wall time: 24.4 s

After JIT compilation

%time potential(s)
CPU times: user 52.9 ms, sys: 8.59 ms, total: 61.5 ms
Wall time: 51.4 ms

%time potential.compute_force(s)
CPU times: user 135 ms, sys: 32.4 ms, total: 167 ms
Wall time: 156 ms

Examples

Below you will find a list of examples and tutorials to help you in using Pantea.

• Getting started with Pantea

• Potential traning