<div dir="ltr">Dear all, I have been suggested to use the psmp version of cp2k on a Cray supercomputer but without the -D__LIBINT option in the compilation flags. I need to use the vdw-DF2 non local functional in my calculations. Since from what I know, but I am not an expert, that the Libint library is mainly useful for HF exchange, would it be consistent with this method (use of vdw-DF2 functional) to compile only using the LIBXC related flags and linking and not the LIBINT ones? Best wishes Yannis </div>