cp2k on POWER4 running Linux

Eric Shamay eric.... at gmail.com
Wed Jun 25 21:49:43 UTC 2008

Great, I didn't know what LD_LIBRARY_PATH was actually pointing for
(dynamically shared objects)! I'll use the -L flags to point to
specific locations for libraries. Also, I hadn't moved the libraries
from their defaults install locations (i.e. $(BLACSPATH)/LIB/) but had
added those locations to the LD_LIBRARY_PATH...

A second point that is only somewhat tangential to the CP2K forum
purpose - the BLACS Makefile 'cleanall' directive does not go into the
MPI source to clean there. For some reason it was left out. The issue
is that when I was altering the Bmake.inc, running 'make cleanall' and
then recompiling, the new version was not a fresh recompilation. Thus
when changed the directive in the Bmake.inc to leave out the trailing
underscores in the blacs routine names, it made no change when
recompiling (or so it would seem from my end). Adding the right line
into the toplevel BLACS Makefile seems to have fixed the issue.

I'm recompiling and then going to try the cp2k install. I'll post the
results when I get there. Thanks for the advice!


On Jun 25, 11:31 am, Axel <akoh... at gmail.com> wrote:
> noooooooooo!
> for the BLACS/SCALAPACK testers you have to keep the compiled
> libraries
> just where they are. apart from that LD_LIBRARY_PATH is consulted when
> looking
> for _shared_ libraries (dynamics shared objects to be more accurate,
> since
> it also applies to plugins that are dlopen()ed at runtime) at
> _runtime_.
> you have a linker error, so at best you can point LIBRARY_PATH to
> where the
> linker should look, but it would be even better to just use -L flags
> or, if
> you use the default setup for BLAS/SCALAPACK do nothing at all.

More information about the CP2K-user mailing list