-
Notifications
You must be signed in to change notification settings - Fork 23
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
conda OSX-arm64? #75
Comments
I didn't realize there weren't any. We certainly ought to have packages for it. PLUMED is available, so there shouldn't be any problem with adding it. |
Hi Peter, that would be great. I am testing OpenMM on a M2 machine with 60 GPU cores. OpenMM w/ OpenCL is only 4.5 times slower than w/ CUDA on RTX 2080 Ti, and I am pretty sure the gap would be narrower with OpenMM-PLUMED because of the unified memory on the M2. Thanks, Istvan |
Peter, I have a related question. Is PLUMED that you include in this package a vanilla version, or would you consider activating some of the more popular modules? For example, I configure PLUMED with Thanks, Istvan |
We don't include a copy of PLUMED. It comes from conda. Here is the feedstock where it gets built. That's the place to ask about how it is compiled. |
I see. My bad, sorry. |
The build is being attempted here conda-forge/openmm-plumed-feedstock#25 |
I see that the OSX-64 version of openmm-plumed 2.0 is out but that won't run on Apple Silicon.
Is there a plan to do an arm64 build? I believe the included plumed package has been built on arm64. Thanks! Istvan |
We're working on it! conda-forge/openmm-plumed-feedstock#32. |
Thanks! Greatly appreciated. |
conda-forge/openmm-plumed-feedstock#32 has been merged. The build should be available in a few hours. |
I do not have a Mac to check but the packages should be there now. @peastman if you can check please confirm and close this one. |
Hi Raul, I am trying it now and I am getting the following error. Does this give you a clue? The problem might be on my end, I don't know. Thanks, Istvan
|
I have no idea and I do not have a Mac around to test it I am afraid... Judging by the message your env seems to be missing the gsl library. But it is weird to me that the error did not appear in the feedstock to if that is the case. |
Good news, it was pilot error. I didn't realize that I installed
openmm-plumed within an environment that had a n older version, 8.0 of
OpenMM. Maybe the problem originated there. In any case with a fresh
installation, everything works. Thanks!
Istvan
…On Thu, Feb 1, 2024 at 11:04 AM Raul ***@***.***> wrote:
I have no idea and I do not have a Mac around to test it I am afraid...
The feedstock does check that importing openmmplumed works. I might had
missed some nuisance specific to OSX, like search paths for dynamic
libraries...
Judging by the message your env seems to be missing the gsl library. But
it is weird to me that the error did not appear in the feedstock to if that
is the case.
—
Reply to this email directly, view it on GitHub
<#75 (comment)>,
or unsubscribe
<https://github.com/notifications/unsubscribe-auth/AKDNJ2X3NIWFXZTSTWWERK3YRO4KNAVCNFSM6AAAAAA7LUY3ASVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTSMRRGY3DINZRGU>
.
You are receiving this because you authored the thread.Message ID:
***@***.***>
|
phew! thats a relieve. Lets close this one then. Thanks all! |
Hi, just wondering if there is a plan to provide conda installation on OSX-arm64?
Thanks,
Istvan
The text was updated successfully, but these errors were encountered: