[CP2K:117] Re: CP2K compilation errors

Matthias Krack kr... at phys.chem.ethz.ch
Sun Jun 3 10:06:25 CEST 2007


Eric,

> The scalapack default 'make' includes all the lib targets, so they were
> built with my last compilation. Also, I ran all the test that come with the
> build in the TESTING directory and they passed just fine. I believe the
> problem is that when linking in the arch-file I'm not including a necessary
> library. Right now my arch file has
> 
> LIBS     = -lscalapack
> $(BLACSLIB)/blacs_MPI-LINUX-0.a$(BLACSLIB)/blacsCinit_MPI-
> LINUX-0.a   $(BLACSLIB)/blacsF77init_MPI-LINUX-0.a $(BLACSLIB)/blacs_MPI-
> LINUX-0.a -llapack -lcblas -lf77blas - latlas -lblas -lg2c -lguide -lmpi
> -lfftw3
> 
> I thought that adding -lg2c would clear up the problem, but scalapack is
> making reference to things like:
> 
> dlaset_
> dlacpy_
> zlacgv_
> zlaset_
> zlacpy_
> dlamch_
> dlapy2_
> etc.

All these routines are part of the libscalapack. Just have a look in 
SCALAPACK/TOOLS/LAPACK where you should find e.g. the file dlaset.f.
If you compiled also the toolslib as you claim, then the toolslib
should be linked into the libscalapack.a. It might be instructive 
just to check for it:

ar -t libscalapack.a | grep dlaset

or for more details

nm libscalapack.a | grep dlaset

Sometime an additional or missing appended underscore troubles when
linking libs and objs generated with different compilers.

> I can't seem to find the library that defines those, but including whichever
> library it is will probably clear up the problem. So it's either linking to
> one more library, or a more fundamental problem with the build of one of the
> components (blacs, atlas, scalapack?) that I can't diagnose on my own.
> 

Due to the facts above I don't think that a lib is missing. It's more
likely that you have either mismatched name or that the toolslib routines
are not linked into libscalapack. I am not sure if the tests in
SCALAPACK/TESTING include references to this routines.

Matthias


> On 6/2/07, Matthias Krack <kr... at phys.chem.ethz.ch> wrote:
> >
> >
> > Eric,
> >
> > does your ScaLAPACK build include the toolslib?
> > I always use the lib target
> >
> > lib: toolslib pblaslib redistlib scalapacklib
> >
> > in the ScaLAPACK makefile for the library build.
> >
> > Matthias
> >
> >
> 
> > 
> 

Dr. Matthias Krack
Computational Science
Department of Chemistry and Applied Biosciences
ETH Zurich
USI-Campus, via G. Buffi 13
6900 Lugano
Switzerland

Phone: +41 (0)58 666 48 05 (direct)
       +41 (0)58 666 48 00 (secretary)
Fax:   +41 (0)58 666 48 17

Email: kr... at phys.chem.ethz.ch
URL:   http://www.phys.chem.ethz.ch



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