[CP2K:1886] Re: Energy is NaN with CUFFT

Ondrej Marsalek ondrej.... at gmail.com
Tue Mar 17 15:51:22 UTC 2009

On Tue, Mar 17, 2009 at 16:01, Axel <akoh... at gmail.com> wrote:
> On Mar 17, 7:16 am, Ondrej Marsalek <ondrej.... at gmail.com> wrote:
>> Hi again,
>> > hi,
>> > i don't see this. just recompiled on the tesla machine at uiuc.
>> > as usual, please provide the smallest possible input that reproduces
>> > it,
>> > as well as the compiler flags and hardware specs that you were using.
>> > otherwise it is impossible to track it down.
>> It happens only in parallel runs. I get the same kind of trouble with
>> the Ar.inp example (as well as my own inputs) when run in parallel. In
>> serial, it all seems to work. Can anyone else reproduce this?
> there is no support for CUDA with parallel compiles.

Oh, that explains things. Would perhaps be nice to mention it
somewhere near the CUDA stuff in CP2K, let's say the example arch file
or the cuda_tools directory.


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