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.
Additional Context
No response
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.
Additional Context
No response