Hello, I am new to CP2K and I am not a developer, just a chemist. I have just compiled CP2K in a Debian Testing 64-bit workstation with 64GB of RAM. I have created a parallel binary, which, in theory is also CUDA-enabled. In the workstation right now there is only an NVIDIA Quadro FX4800 with 1.5GB of memory, but I have 3 Teslas in a drawer waiting for CP2K to become useful. However, I have just run the test C.inp, which apparently ran fine, but there are many output lines containing the following: NOT ENOUGH GPU DEVICE MEMORY! Searching through the manual, I have only found a CUDA/GPU-related keyword, which is memory. The default is -1. What does it mean? That the GPU should not be used or that the memory is unlimited? In fact, modifying the input like this seems to solve the problem: &GLOBAL PROJECT C PRINT_LEVEL LOW &CUDA MEMORY 533504 &END CUDA &END GLOBAL I would like to know if the CUDA options are documented somewhere and, in particular, if I can choose which GPU to use and if I can use more than one GPU per calculation. Kind regards, Miro