> On 11 Oct 2018, at 9:17, Miguel Dias Costa <[email protected]> wrote: > > I suppose the question then is whether there is an issue with libvdwxc always > using FFTW and the rest of GPAW using the FFTW wrappers to Intel MKL, but I > don't see why that would be a problem.
Unfortunately, this is where the problem is. It causes core dumps. According to the libvdwxc developer, this is because MKL and FFTW use the same internal function names for incompatible functions (I assume some internal functions called by the official API functions). > Or did I misunderstand? > > Miguel -- Jakob Schiøtz, professor, Ph.D. Department of Physics Technical University of Denmark DK-2800 Kongens Lyngby, Denmark http://www.fysik.dtu.dk/~schiotz/
