On 10/11/2018 09:32 AM, Jakob Schiøtz wrote:
>
>
>> 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?
Do you have any example of how libvdwxc fails with the mkl FFTW wrapper
that EB uses? Preferably standalone to make it easier to test?
--
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
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