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Has this Issue been solved? @caic99 |
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No. |
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Move to discussion |
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Fixed by #4613 and following PRs. |
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Describe Current Status and Possible Solution
Currently, we use a naive implementation to find MKL libraries in ABACUS. This might cause some problems on choosing the correct library when the environment is complicated, and might result in numerical errors. I strongly doubt this is the root cause of #1413 and #1121 .
Since Intel OneAPI(2020+), the Intel MKL comes up with officially supported CMake config files. We should use it whenever possible, and take our implementation as a fall back when using legacy MKL versions.
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