diff --git a/docs/software/sciapps/cp2k.md b/docs/software/sciapps/cp2k.md index b77aa7c4..dbf3c164 100644 --- a/docs/software/sciapps/cp2k.md +++ b/docs/software/sciapps/cp2k.md @@ -422,6 +422,20 @@ See [manual.cp2k.org/CMake] for more details. ## Known issues +### Older uenv versions on Eiger + +After the migration to Eiger.Alps, calculations relying on older uenv versions (`2024.1:v1`, `2024.2:v1`, `2024.3:v1`) sometimes crash unexpectedly with a segmentation fault. The problem has been identify as coming from the `libxsmm` library, used as a backend in DBCSR. To avoid this issue, it is recommended to upgrade to a newer uenv. + +In case a specific `2024.x` version of CP2K is required, crashes can be avoided by switching to the `BLAS` backend of DBCSR. This can be done by adding the following in the `&GLOBAL` subsection of the input file: + +```bash +&GLOBAL + &DBCSR + MM_DRIVER BLAS + &END DBCSR +&END GLOBAL +``` + ### DLA-Future The `cp2k/2025.1:v2` uenv provides CP2K with [DLA-Future] support enabled, in the `cp2k-dlaf` view.