[Wien] Problems with lapw1_mpi in 64-bit

[Peter Blaha]

As I said, I'm using an Intel Xeon cluster. I'm using ifort9 and the
cluster-mkl8 (which includes scalapack). This cluster has infiniband
from "topspin" and the corresponding libraries.

PS: I've mentioned this several times: I had quite bad experience with 
pgi6.0 compiler and basically abandoned it.It gave me unreliable or slightly
wrong results in several places.


> Hi!
>  
> SCALAPACK comes from the AMD library amdscalapack-3-1-0-pgi-64bit.
> 
>   RP  RP_LIB(SCALAPACK+PBLAS): -L/opt/scalapack/amdscalapack-3.1-pgi-64/pgi64/lib -lscalapack -lblacsCinit -lblacs -lblacsCinit
> /opt/acml/acml-3.1-pgi-64/pgi64/lib/libacml.a -L/opt/mpi/mpich-1.2.7-pgi-6.1-opteron/lib -lmpich
>       FP  FPOPT(par.comp.options): -Mfreeform -fast -Kieee
>       MP  MPIRUN commando        : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>  
>  
> What was your version?
>  
> Kind regards
>  
> Roberto
> 
> 
> ________________________________
> 
> De: wien-bounces at zeus.theochem.tuwien.ac.at en nombre de Peter Blaha
> Enviado el: mié 28/06/2006 10:31
> Para: A Mailing list for WIEN2k users
> Asunto: Re: [Wien] Problems with lapw1_mpi in 64-bit
> 
> 
> 
> Hi,
> 
> I run lapw1_mpi in 64bit Xeon machines without problems.
> 
> Have you tried a "smaller problem" ? Could be a memory problem.
> 
> mpi seems to work (as also your test say, or try lapw0_mpi), but
> maybe there is a problem with SCALAPACK/BLACS. Where does your
> SCALAPCK  come from ??
> 
> Regards
> 
> > We're experiencing problems when trying to run our Wien2k installation
> > on a cluster of dual core AMD Opteron processors, with 64-bit PGI 6.1
> > compilers, MPICH-1.2.6, Scientific Linux 4 (Red Hat 4) and AMD
> > libraries. The version of the program is Wien2k_06.2.
> >
> > We could build and run a test F90 MPICH code in the same environment.
> >
> > But when running a test, it crashes in lapw1_mpi in the following
> > sequence of calls:
> >
> >    run_lapw -p -cc 0.0001
> >    ...
> >    /home3/iglesias/w2k_par/x -f TiC lapw1 -p
> >    ...
> >    /home3/iglesias/w2k_par/lapw1para lapw1.def
> >    ...
> >    mpirun -np 4 -machinefile .machine1 /home3/iglesias/w2k_par/lapw1_mpi
> > lapw1_1.def
> >
> >   Using             4  processors, My ID =             0
> > 2 - <NO ERROR MESSAGE> : Could not convert index 1140850688 into a pointer
> > The index may be an incorrect argument.
> > Possible sources of this problem are a missing "include 'mpif.h'",
> > a misspelled MPI object (e.g., MPI_COM_WORLD instead of MPI_COMM_WORLD)
> > or a misspelled user variable for an MPI object (e.g.,
> > com instead of comm).
> > p0_10792:  p4_error: interrupt SIGx: 13
> > Killed by signal 2.
> >
> > I have not been able to find any solution to this in the mailing list,
> > neither in the FAQ. There were messages about compilation errors with a
> > 64-bit build, but has someone ever suffered similar problems with lapw1_mpi?
> >
> > Thanks a lot
> >
> > Roberto Iglesias
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> 
> 
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
> 
> 


                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------