<div dir="ltr">Hello everyone, I compiled CP2K-3.0 on CRAY-XC40 for cuda using arch file: CRAY-XC30-gfortran-cuda.psmp. I ran test input file for water and it was successfully over. But when I am running jobs for my actual system, I am getting the following error: CUDA Error: out of memory ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ acc_hostmem_alloc_raw: Could not allocate host pinned memory * * | * * O/| * * /| | * * / \ acc/acc_hostmem.F:122 * ******************************************************************************* ===== Routine Calling Stack ===== 18 internal_data_allocate 17 dbcsr_data_new 16 make_images I tried using CUDA SUBSECTION (for memory keyword) also in GLOBAL section, but it didn't work. Attached is the output file. Can anyone please help, what might be wrong? I would also like to know how can I make sure that my job is using GPU card. Thank you, Aman Jindal </div>