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This is about CP2K usage. Please check the official website of cp2k for its usage. |
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When dpgen runs to the 02.fp phase, the output file in the task displays the following error: The requested basis set for element was not found in the basis set files <BASIS_MOLOPT> .I've tried a lot of things, but it still doesn't work out. I suspect that the fp section in machine.json is set incorrectly on the Bohrium. The screenshot is as follows:
outpu.txt
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