Hans Pabst
This can be related to DBCSR (rather than CP2K). Anyhow, can you please share some more details about how the CP2K executable was built? Specifically, is this is a CPU-only...
An example reproducing the issue can be `benchmarks/QS_single_node/RI-HFX_H2O-32.inp` along with a GNU Fortran based build (tested GCC 11 and 13). It however seems to depend on the OS flavor (Linux...
To be reevaluated, but otherwise resolved by #4411.
> Then, the strategy will be to rename the file/parameters in "AMD" and "NVIDIA" and drop the specific GPU version. Good idea. In particular since a specific tuning may also...
This PR needs (beside of review) some help with uploading the bits to CP2K.org. I think the referred Tarball can be taken without change (hence the SHA256sum is alright).
There might be subsequent work to leverage LIBXSMM for ARM64 wrt Toolchain and/or CMake.
Unfortunately, I need to refer to a new archive, i.e., upload to cp2k.org and deleting the old upload. I will ping here when ready.
> Unfortunately, I need to refer to a new archive, i.e., upload to cp2k.org and deleting the old upload. I will ping here when ready. Ready: https://github.com/libxsmm/libxsmm/archive/50982e992eefedd44ef9395f946dc73595b8579d.tar.gz
> Voilà: https://www.cp2k.org/static/downloads/libxsmm-50982e992eefedd44ef9395f946dc73595b8579d.tar.gz Thanks! We need to redo once more. This should not gate the release.
Please, one more time... https://github.com/libxsmm/libxsmm/archive/92b08d68724e9a2653056acb5a3c6667ecaeaea1.tar.gz