@@ -15,14 +15,28 @@ transition state optimization using NEB or dimer method. See [CP2K Features] for
1515 [CP2K] is provided on [ALPS][platforms-on-alps] via [uenv][ref-uenv].
1616 Please have a look at the [uenv documentation][ref-uenv] for more information about uenvs and how to use them.
1717
18+ ??? note "Changelog"
19+
20+ ??? note "2025.1"
21+
22+ * The `[email protected] :v1` uenv has been removed and replaced by `[email protected] :v2` 23+ * The [DLA-Future] integration required special care by the user; without it, the performance is sub-optimal
24+ * The DLA-Future integration has been moved to a separate `cp2k-dlaf` view
25+ * The two views available in `[email protected] :v1` are still available, without DLA-Future: `cp2k` and `develop` 26+ * Two new views with DLA-Future are available in `[email protected] :v2`: `cp2k-dlaf` and `develop-dlaf` 27+ * The default BLAS/LAPACK library on [Eiger][ref-cluster-eiger] is now [OpenBLAS] (changed from Intel oneAPI MKL, oneMKL)
28+ * Performance on some workloads is better and on others is comparable
29+ * Brings uniformity across platforms
30+
31+
1832## Dependencies
1933
2034On our systems, CP2K is built with the following dependencies:
2135
2236* [ COSMA]
2337* [ Cray MPICH]
2438* [ DBCSR]
25- * [ DLA-Future]
39+ * [ DLA-Future
] (from ` [email protected] ` onwards, only in ` cp2k-dlaf ` view) 2640* [ dftd4
] (from
` [email protected] ` onwards)
2741* [ ELPA]
2842* [ FFTW]
@@ -47,11 +61,6 @@ On our systems, CP2K is built with the following dependencies:
4761 On the HPC platform, ` CUDA_CACHE_PATH ` is set to a directory under ` /dev/shm ` by
4862 default.
4963
50- !!! warning "BLAS/LAPACK on Eiger"
51-
52- On Eiger, the default BLAS/LAPACK library is Intel oneAPI MKL (oneMKL) until
` [email protected] ` .
53- From
` [email protected] ` the default BLAS/LAPACK library is
[ OpenBLAS
] .
54-
5564## Running CP2K
5665
5766### Running on the HPC platform
@@ -415,7 +424,7 @@ See [manual.cp2k.org/CMake] for more details.
415424
416425### DLA-Future
417426
418- The ` cp2k/2025.1 ` uenv provides CP2K with [ DLA-Future] support enabled.
427+ The ` cp2k/2025.1:v2 ` uenv provides CP2K with [ DLA-Future] support enabled, in the ` cp2k-dlaf ` view .
419428The DLA-Future library is initialized even if you don't [ explicitly ask to use it] ( https://manual.cp2k.org/trunk/technologies/eigensolvers/dlaf.html ) .
420429This can lead to some surprising warnings and failures described below.
421430
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