Hello
There is a hard limit (48*1024) coded in GPU grid routines of CP2K because of the limited GPU memory available. Using more nodes does not help here, because this won’t increase the shared memory available per GPU. A work around is to use the CPU implementation of grid_integrate instead of the GPU implementation by selecting the grid BACKEND CPU explicitly (the default is AUTO which will then select GPU automatically on Piz Daint). Alternatively, you can try to change the code and increase that limit, e.g. to 51*1024, with the risk, however, of triggering other problems.
I don’t know what causes the error on Eiger.
HTH
Matthias
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