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lines changed Original file line number Diff line number Diff line change @@ -20,21 +20,21 @@ transition state optimization using NEB or dimer method. See [CP2K Features] for
2020
2121On our systems, CP2K is built with the following dependencies:
2222
23+ * [ COSMA]
2324* [ Cray MPICH]
24- * [ OpenBLAS]
25- * [ ScaLAPACK]
25+ * [ DBCSR]
26+ * [ DLA-Future]
27+ * [ dftd4
] (from
` [email protected] ` onwards)
28+ * [ ELPA]
2629* [ FFTW]
2730* [ Libxc]
28- * [ Spglib]
29- * [ spla]
30- * [ ELPA]
31- * [ PLUMED
] (from
` [email protected] ` onwards)
3231* [ libint]
33- * [ DLA-Future ]
34- * [ dftd4 ] (from ` cp2k@2025 .1 ` onwards)
35- * [ COSMA ]
32+ * [ OpenBLAS ]
33+ * [ PLUMED ] (from ` cp2k@2024 .1 ` onwards)
34+ * [ ScaLAPACK ]
3635* [ SIRIUS]
37- * [ DBCSR]
36+ * [ Spglib]
37+ * [ spla]
3838
3939!!! note "GPU-aware MPI"
4040 [ COSMA] and [ DLA-Future] are built with GPU-aware MPI. On the HPC platform, ` MPICH_GPU_SUPPORT_ENABLED=1 ` is set by
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