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The revised PR now drops the [PARALLEL] WORKSHARE constructs.

I have recently ran tests on a GH200 system with the OpenCL backend. The OpenCL backend has support for profiling results to appear in DBCSRs / CP2Ks regular profile (end...

These are the prototypes that allow to call CP2K/DBCSR's timer facility for instance in `cuda_hip` sources: https://github.com/cp2k/dbcsr/blob/develop/src/acc/acc.h#L67-L68

@fstein93 was the issue discovered on GH200 like Alps?

Thank you, Matthias! I am working on it, the `pw_methods.F` as well as `xc.F` translation units are failing (see [here](https://github.com/hfp/xconfigure/blob/main/config/cp2k/Linux-x86-64-intelx.arch#L1109)) with both likely sharing the same cause like using array-loops...

> @hfp thanks, great that you are working on this. Earlier versions of ifx succeeded to compile CP2K, but gave runtime errors. I guess recent source code changes challenged the...

( Side note [since this question came up elsewhere], IFX is not based on Flang but rather based on IFORT now "classic". I am all positive for the language itself...

It can be also helpful to rely on GNU specific names like `gsed` and test-up `command -v gsed` first and then (if empty) fall-back to `sed`. Perhaps that's true for...

Generally, the SHA based checksum protects a user of CP2K against false bits. Primarily if cp2k.org is hooked up but also when the Toolchain downloads source packages from elsewhere. If...

> > It can be also helpful to rely on GNU specific names like `gsed` and test-up `command -v gsed` first and then (if empty) fall-back to `sed`. Perhaps that's...