Justin MacCallum

∇getindex mutates, causing issues with higher order AD over getindex.

19

I'm new to flux/zygote/julia. I'm trying to develop a model that looks something like below. I have a network that produces two outputs, `A` and `B`. The gradient of `A`...

Problem with corrupted data using allgather

8

I'm having a problem with data corruption when using `allgather`, but only one of the HPC systems we use. I think the problem is very likely somewhere in the infiniband...

Numerical instability when solving equilibrium problems

2

I'm working on a biological system with the following reactions: 1. 50 A A_50 2. A_50 + B A_50 B I want to determine [A_50 B] as a function of...

Constraints blowing up

29

We're working on finalizing our implementation of the Martini CG force field in OpenMM, but are running into problems with the topology for cholesterol. In Martini, four atoms in cholesterol...

Updating atom indices in custom forces / interacting with global parameters in plugins

5

We've run into a major issue in one of our current projects with a tight deadline. I would appreciate whatever support we can get to resolve this quickly. We have...

1. Fresh install of OpenMM from master. Passes tests. 2. Fresh install of example plugin from master. ``` % make test !10215 Running tests... Test project /Users/jlmaccal/Build/SamplePlugin Start 1: TestSerializeExampleForce...