single precision compilation of cp2k

Axel akoh... at gmail.com
Mon Dec 3 22:56:24 UTC 2007


On Dec 3, 5:44 pm, Teodoro Laino <teodor... at gmail.com> wrote:
> Thanks Axel,
>
> I'm applying the patches right now.. should be soon in the CVS..
> did you try a specific regtest/input file (that gives segfault)?

i tried H2O-geoopt.inp

there is more to come, i just noticed, that the f77_blas_poison
does not seem to be poisonous eneough. i found plenty of
calls to DSCAL. stay tuned. (too tempting, i should be hacking
LAMMPS instead. ouch).

axel.

>
> teo
>
> On 3 Dec 2007, at 23:38, Axel wrote:
>
>
>
> > thanks a lot. it is much appreciated.
>
> > as a token of my appreciation, i've uploaded a minimal patch
> > containing a few more changes needed to complete the compilation
> > with -D__SGL. it can actually run pretty far until it dies with
> > a segfault. ;-)
>
> > cheers,
> >    axel.
>
> > On Dec 3, 2:09 pm, Teodoro Laino <teodor... at gmail.com> wrote:
> >>> haven't changed anything yet. only looked at
> >>> what caused errors during a compile attempt
> >>> with "make -i". just wanted to make people aware
> >>> of this. will send patches when i have time to work
> >>> on it for real (may be after christmas).
>
> >> Take it easy man.. there are better ways to use the Xmas holidays ;-)
>
> >> In the meanwhile there's a python+teo (Xmas) present for you under
> >> the CVS(tree) ;-) ..
>
> >> ciao,
> >> teo
>
> >>> axel.


More information about the CP2K-user mailing list