Opened 23 months ago

Last modified 23 months ago

#10395 closed defect

OpenMM Metal platform missing in MacOS 1.7? — at Version 2

Reported by: Tristan Croll Owned by: Tristan Croll
Priority: moderate Milestone:
Component: Platform Version:
Keywords: Cc: chimera-programmers, Tristan Croll
Blocked By: Blocking:
Notify when closed: Platform: Mac OS X (X11)
Project: ChimeraX

Description (last modified by Tom Goddard)

Going by the query from a user at ​https://x.com/taha_shahid/status/1738063741327937823?s=20 it looks like the library files for the OpenMM Metal platform (see #8869) may not have made it into the ChimeraX 1.7 release (left my Mac in the office for the Christmas break, so it's hard for me to check).

Change History (2)

comment:1 by Eric Pettersen, 23 months ago

Cc: chimera-programmers added
Component: Unassigned → Platform
Owner: changed from Eric Pettersen to Tom Goddard

comment:2 by Tom Goddard, 23 months ago

Description: modified (diff)
Owner: changed from Tom Goddard to Tristan Croll

Was there ever an OpenMM Metal platform? In Mac ARM ISOLDE 1.6 I see openmm platforms HIP, OpenCL, CPU, Reference. It looks like HIP is for AMD ROCm (AMD's GPU library) support (​https://github.com/amd/openmm-hip) -- maybe that could work on old Intel Macs with AMD GPU. It might need ROCm libraries installed on the Mac -- I don't know anything about ROCm. Of course Apple stopped making Mac's with AMD GPUs a years ago. Strangely ISOLDE 1.6 on my Mac ARM machine (no AMD GPU) shows HIP as the platform and it simulates fine. I don't think it could be using HIP. Maybe it is using OpenCL. Hard to tell, the Log does not say anything about what platform was actually used.

In ISOLDE 1.7 on Mac ARM it shows openmm platforms OpenCL, CPU and Reference and OpenCL is chosen. That seems like the correct platform for Mac ARM (M1/M2 GPU), and the simulation works. The frame rate during the cryoEM tutorial full simulation seems to be about 5 frames/second on both 1.6 (HIP chosen) and 1.7 (OpenCL chosen).

Reassigning to Tristan since he should know what OpenMM platforms Mac machines are intended to use.

ChimeraX includes the standard Conda OpenMM packages, so the platforms it supports are based on the Conda builds.

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