CP2K compilation errors

[akohlmey]

On Jun 1, 6:17 pm, Eric Shamay <eric.... at gmail.com> wrote:

> The errors do point to BLACS, so I hope this will work. I didn't
> realize that I'd have to go back in the recompiling-tree and redo each
> component everytime I update a lower component (in this case, mpi).

the question is always whether that are changes in the binary
interface, i.e. the ABI. also you have to make sure that your
configuration is correct.

> Thanks for the heads up, I'll take note of what each was compiled
> against for records from now on.
>
> Why is it that cp2k is so touchy with regards to minor version changes
> in the mpi routines? Do mpi libraries deprecate calls from earlier
> versions?

the problem is not a problem of cp2k directly (unless you want to
blame
cp2k for using a larger subset of the functionality of the underlying
libraries and language than other packages), but in the fact, that
openmpi
uses shared libraries and thus you have to always make sure, that you
use a set of libraries, that match the definitions of the header/
include files.

the best strategy is in fact, to always build everything from ground
up
until you have a consistent set. it helps to script the build process,
so that you know what set of flags you were using where.

just mix and matching different libraries can work, but you'd never
know why something was working (or not).

cp2k _is_ a large and complex package and that shows in the build
process. however, once you have a working setup, keeping up-to-date
is rather simple.

cheers,
   axel.