NWChem for Apple Silicon Macs #1089
Replies: 8 comments 18 replies
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NWChem has been running on Apple Silicon since February 2021. #331 Next time, just try to build NWChem. It's hard to have perfect documentation. |
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NWChem can be installed on Applie Silicon MacOs using either from homebrew or conda (by means of conda-forge) if you don't want to compile from source. |
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https://nwchemgit.github.io/Download.html#nwchem-availability-on-macos |
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Would it be possible to add NWChem to MacPorts? I don't have the expertise to do something like that, and, again, I would prefer not to use brew if possible (mainly because of all the dependencies that would be duplicated) |
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What about Docker, would you be interesting in using the NWChem docker image on MacOS Apple Silicon HW? |
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@edoapra One of the people who commented on the MacPorts pull request you made has been pursuing the task, and sounds like he's a bit closer to getting NWChem to compile. However, he would like a test calculation to make sure it is working properly, and the one I wrote is failing to complete. Would you be able to run it and verify that the input file runs successfully? I don't have access to a working installation of NWChem to test it myself.
It sounds like we may have an unofficial NWChem port working on MacPorts soon, though! |
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I just had a thought—can NWChem use the GPU cores in an Apple Silicon chip? (Apparently this would be done through Metal, rather than CUDA, but I thought I would ask on the off-chance) |
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I was just wondering if it was possible to install NWChem on Macs with apple silicon chips? I have found some mentions of it in pull requests, but see nothing about it in the release notes, and the compiling from source page on the NWChem website only lists x86 Macs as compatible.
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