Note: Adding Anaconda PowerShell to Windows Terminal

When you install Miniconda3 or Anaconda3 on Windows it adds a PowerShell shortcut that has the necessary environment setup and initialization for conda. It’s listed in the Windows menu as “Anaconda Powershell Prompt (Anaconda3)”. However, this opens a separate/detached PowerShell instance and it would be nice to have this as an optional shell from Windows Terminal! In this post we will add that functionality as a new shell option in Windows Terminal.

PyTorch for Scientific Computing – Quantum Mechanics Example Part 4) Full Code Optimizations — 16000 times faster on a Titan V GPU

This is the 16000 times speedup code optimizations for the scientific computing with PyTorch Quantum Mechanics example. The following quote says a lot,

“The big magic is that on the Titan V GPU, with batched tensor algorithms, those million terms are all computed in the same time it would take to compute 1!!!”

PyTorch for Scientific Computing – Quantum Mechanics Example Part 3) Code Optimizations – Batched Matrix Operations, Cholesky Decomposition and Inverse

An amazing result in this testing is that “batched” code ran in constant time on the GPU. That means that doing the Cholesky decomposition on 1 million matrices took the same amount of time as it did with 10 matrices!

In this post we start looking at performance optimization for the Quantum Mechanics problem/code presented in the first 2 posts. This is the start of the promise to make the code over 15,000 times faster! I still find the speedup hard to believe but it turns out little things can make a big difference.