Hans Pabst
This may not gate the release of CP2K. Tests look good now (two very minor change of margins/deviations). However, there is one SIGFPE with `tests/QS/regtest-ecp-2/SbH3_def2_gapw.inp` which looks somewhat unrelated (geoopt)....
My local tests with `tests/QS/regtest-ecp-2/SbH3_def2_gapw.inp` went all fine. I used current master/main revision of libgrpp which now requires `libgrpp_init()`.
I have disabled `regtest-ecp/SbH3_def2_gapw.inp` and `regtest-ecp-2/SbH3_def2_gapw.inp` for the time being. I can log an issue as a reminder. This PR brings LIBXSMM for ARM64, i.e., `m_cpuid_static`, `m_cpuid`, and `m_cpuid_name`.
Thank you for the reply! I will go ahead and merge when ready. Next commit will fix the precommit/fileprops, and I will remove `--with-libxsmm=no` for all AARCH64 dockers/tests (doing so...
Also, you can upload LIBXSMM to CP2K.org once more when merged (at your own pace ;-). I have incorporated `download_pkg_from_urlpath` in `tool_kit.sh` (which implements `download_pkg_from_cp2k_org`). However, `install_libxsmm.sh` now downloads from...
Ok, I will take a look at the ARM64 status like failures. Might be SMMs with transpose are not ready. If no easy fix, I will revert testing on ARM64,...
This PR is now ready, just waiting for the ARM64 test to finish.
ACK, I came to the same conclusion. I wonder what needs to change. It's somehow CMake based (which was green for the PR).
> Yes, I've moved many of our test off the toolchain to simplify and speed them up. So, it would be good if we could also support the libxsmm version...
See #3676