CP2K compilation errors

akohlmey akoh... at gmail.com
Mon May 28 21:12:21 CEST 2007



On May 28, 2:57 pm, Eric Shamay <eric.... at gmail.com> wrote:
> Thank you for the help with the compiler. I installed a newer version
> and overcame the previous error. Now I'm stuck with an error involving
> libmkl_scalapack:
>
> IPO link: can not find -lmkl_scalapack
> ifort: error: problem during multi-file optimization compilation (code
> 1)
>
> Installing the latest version of Intel's mkl does not include
> libmkl_scalapack, and so I'm left wondering where I can find that
> particular library.

eric,
you have to either use intel's cluster mkl or compile
BLACS/ScaLAPACK yourself.

you can see my notes on how i compiled both packages for our group at:
https://www.liniac.upenn.edu//wiki/tiki-index.php?page=scalapack+for+CMM

you will have to adapt the configuration files for your MPI
installation.
when compiling BLACS/ScaLAPACK it is essential to verify your
compilation
with the corresponding testers. BLACS should pass completely, in
ScaLAPACK
you may get away with a few tests failing (minor). the success of the
latter
depends also a lot on the optimizations in the BLAS/LAPACK that is
used
with ScaLAPACK. i had the best successes with mkl.
it is important not to overoptimize.

hope this helps,
   axel.

> Thanks,
> ~Eric
>
> On May 24, 11:54 am, "Nichols A. Romero" <naro... at gmail.com> wrote:
>
> > 9.1.041 also works for me.
>
> > On 5/24/07, Teodoro Laino <teodor... at gmail.com> wrote:




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