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Fix species naming in GPU chemistry model to compile on latest OF dev - #3

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drhcelik wants to merge 2 commits into
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Fix species naming in GPU chemistry model to compile on latest OF dev#3
drhcelik wants to merge 2 commits into
vttresearch:masterfrom
drhcelik:latestdev

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@drhcelik

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Modified to compile on latest dev.

@drhcelik drhcelik closed this Jan 30, 2026
@drhcelik drhcelik reopened this Jan 30, 2026
@hamsteri15

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Can you check what's wrong with the build? Is the image we test against up to date?

@drhcelik

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It seems like the image we test against is not up to date.

@hamsteri15

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@drhcelik do you think you could update the image so we can get this merged? For the long term it may be better to use some public image but then we need a place to run the tests. I think microsoft has some machines available for open source projects for testing but I doubt they have gpus. There is really no point in running the tests without a gpu

@drhcelik

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@hamsteri15 I think Timo updated the image, but it looks like the unit tests are failing.

@niemiti

niemiti commented Feb 16, 2026

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The issue is that the old NA is nowadays NNA. gpuNA should be renamed gpuNNA and gpuRR should use that. Then the test could be made against NNA.

@drhcelik drhcelik closed this Feb 16, 2026
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drhcelik deleted the latestdev branch February 17, 2026 08:04
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4 participants