[Wien] compile problem mpi parallel

[Laurence Marks]

I cannot answer your question since I have no idea what "Oscar
default" is. Someone else might, but you should probably look at the
documentation on your computer for the appropriate mpi compilation.
You should also look at the documentation to understand how to run an
mpi job for your "Oscar default".

On 9/20/07, Chandrika <rcais at cal3.vsnl.net.in> wrote:
> Hello Laurence,
> Thanks for the reply. Since my parrallelisation is with Oscar default, it is
> not compiled with mpif90. I am trying to get around this without disturbing
> the cluster. I will be glad for any suggestions on this.
> Also I am not sure about- MPIRUN parameters. What do -np _NP_ -machinefile
> _HOSTS_ _EXEC_ stand for?
> Is the machinefile the one in mpich directory or the Wien directory? Do I
> give the full path?
> Thank you for your time.
> Chandrika
>
> ----- Original Message -----
> From: "Laurence Marks" <L-marks at northwestern.edu>
> To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
> Sent: Wednesday, September 19, 2007 5:58 PM
> Subject: Re: [Wien] compile problem mpi parallel
>
>
> > Did you define the appropriate value for parallel compilation in the
> > setup, e.g. mpif90 or are you using ifort for the mpi compilation?
> > (Check the value of MPF in the Makefile.) You have to use mpif90 which
> > should have the directory where mpi.h embedded in it as well as the
> > locations of needed libraries. If you are using a proper mpif90 then
> > something might be broke in your mpi compilation -- test it with
> > something simple, e.g. "Hello World".
> >
> > On 9/19/07, Chandrika <rcais at cal3.vsnl.net.in> wrote:
> >>
> >>
> >> Dear Wien users,
> >> I am having a problem in compiling for mpi parallel. I have a cluster of
> >> eight P IV machines with fedora core 5 and Intel Cluster mkl. I have
> >> parallelised using Oscar 5 (mpich).
> >> K point parallel runs successfully. The options I used for mpi are
> >>
> >>
> >> FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> >>
> >> LDFLAGS:-L/opt/intel_fc_80/lib -i-static -lguide_stats -lpthread
> >>
> >> DPARALLEL:'-DParallel'
> >>
> >> R_LIBS:-L/opt/intel/mkl72cluster/lib/32 -lmkl_lapack
> >> -lmkl_ia32 -lguide_stats -lpthread
> >>
> >> RP_LIBS:-L /opt/intel/mkl72cluster/lib/32 -lmkl_sclapack -lmkl_blacs
> >> -lmkl_lapack -lmkl_ia32 -lguide_stats -lpthread -lpblas -lmpich
> >>
> >> MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> >>
> >>
> >>
> >> The last two options are probably wrong. The compile error for lapw0 says
> >> :
> >>
> >>
> >>
> >> SRC_lapw0/compile.msg:fortcom: Error: modules.F, line 19: Cannot open
> >> include file 'mpif.h'
> >>
> >> SRC_lapw0/compile.msg:fortcom: Error: modules.F, line 42: Cannot open
> >> include file 'mpif.h'
> >>
> >> SRC_lapw0/compile.msg:fortcom: Error: modules.F, line 20: This name does
> >> not
> >> have a type, and must have an explicit type.   [MPI_STATUS_SIZE]
> >>
> >> SRC_lapw0/compile.msg:fortcom: Error: modules.F, line 20: The highest
> >> data
> >> type rank permitted is INTEGER(KIND=8).   [MPI_STATUS_SIZE]
> >>
> >> SRC_lapw0/compile.msg:fortcom: Error: modules.F, line 22: This name does
> >> not
> >> have a type, and must have an explicit type.   [MPI_SUCCESS]
> >>
> >> SRC_lapw0/compile.msg:fortcom: Error: modules.F, line 26: This name does
> >> not
> >> have a type, and must have an explicit type.   [MPI_COMM_WORLD]
> >>
> >> SRC_lapw0/compile.msg:fortcom: Error: modules.F, line 44: This name does
> >> not
> >> have a type, and must have an explicit type.   [MPI_UNDEFINED]
> >>
> >>
> >>
> >> I have included mpich library path into basrc and ld.so.conf.
> >>
> >> Please suggest how to solve this.
> >>
> >> Thank you for your time.
> >>
> >> Chandrika
> >>
> >>
> >>
> >>
> >> _______________________________________________
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> >> Wien at zeus.theochem.tuwien.ac.at
> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >>
> >>
> >
> >
> > --
> > Laurence Marks
> > Department of Materials Science and Engineering
> > MSE Rm 2036 Cook Hall
> > 2220 N Campus Drive
> > Northwestern University
> > Evanston, IL 60208, USA
> > Tel: (847) 491-3996 Fax: (847) 491-7820
> > email: L-marks at northwestern dot edu
> > Web: www.numis.northwestern.edu
> > EMM2007 http://ns.crys.ras.ru/EMMM07/
> > Commission on Electron Diffraction of IUCR
> > www.numis.northwestern.edu/IUCR_CED
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
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>


-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED