The ABINIT Users Mailing List ( CLOSED )

["Ludwig, Christian" <ludwigc@uni-mainz.de>]

The problem is definitely due to MPI. With 
../configure --disable-all-plugins --with-fc-optflags="-O2"
everything works, all internal tests are ok.

Are there people who had problems with MPI, too? How did you solve these 
problems?
________________________________________
Von: forum-owner@abinit.org [forum-owner@abinit.org] im Auftrag von Ludwig, 
Christian [ludwigc@uni-mainz.de]
Gesendet: Freitag, 19. Juni 2009 10:40
An: forum@abinit.org
Betreff: AW: Re: AW: AW: [abinit-forum] problems with compilation on ibm power

I tried compiling the version 5.8.3 with

../configure --with-mpi-prefix=/opt/mpich/ch-p4_test/mpich-1.2.6..13b/ 
--with-fc-optflags="-O2"

in my build directory, and it runs a really long time and successfully 
creates a lot of files and finally terminates with

 EXCEPTION terminates program: no handler for exception.
 Exception of type: UNDIAGNOSED at 100F10A8.  Regs:
 100F1788 FFF78790 40026AE0 0000031F 10251294 00000008 103214A8 101D34C0
 102D1088 00000000 10251B94 101EBE08 48004882 101913D8 00000078 102E92EC
 10251B94 102E9334 102E9334 00000006 00000048 00000549 0000031F 10130000
 10190000 1012F390 10190000 0000031F 00000000 102E932C 10190000 10195950
 resume:  cr:      lr:      ctr:     xer:     fpscr:   msr:     mq:
 100F10AC 48004882 100F1788 0FCB59A0 00000014 00000000 0000D032 00000000
 Traceback:
 Line     ? Disp 100F10A8   AugConvertCharLen                Dsa: FFF78790
 Line     ? Disp 100F1784   AugProcessDummyArgs              Dsa: FFF787C0
 Line     ? Disp 100F1FA4   AugEnterStmt                     Dsa: FFF78840
 Line     ? Disp 100A6534   AugStatement                     Dsa: FFF78860
 Line     ? Disp 10062B2C   StmtWalk                         Dsa: FFF78880
 Line     ? Disp 1009274C   AugWalkProcs                     Dsa: FFF788E0
 Line     ? Disp 10092A70   AugMain                          Dsa: FFF78900
 Line     ? Disp 10056320   astidrvr                         Dsa: FFF78920
 Line     ? Disp 100023DC   main                             Dsa: FFF78970
 Line     ? Disp 0FC4D7EC   generic_start_main               Dsa: FFF78A00
 --- End of call chain ---
1501-511  Compilation failed for file hdr_vs_dtset_cpp.f90.
ABINIT WRAPPER END
make[3]: *** [hdr_vs_dtset.o] Error 217
make[3]: Leaving directory `/usr/local/abinit/abinit-5.8.3/build/src/68_gw'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/usr/local/abinit/abinit-5.8.3/build/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/usr/local/abinit/abinit-5.8.3/build'
make: *** [all] Error 2

Any ideas are greatly appreciated.
Is there a way to recompile only this hdr_vs_dtset_cpp.f90 file? It would be 
a waste of time to recompile all the other files that were successfully 
created.

Cheers,
Christian

________________________________________
Von: forum-owner@abinit.org [forum-owner@abinit.org] im Auftrag von Ludwig, 
Christian [ludwigc@uni-mainz.de]
Gesendet: Donnerstag, 18. Juni 2009 16:11
An: forum@abinit.org
Betreff: AW: Re: AW: AW: [abinit-forum] problems with compilation on ibm power

Recompiling mpich seems to have done the trick. Right now I am using abinit 
5.4.4p and I will try to upgrade to 5.8.3.

Thanks for all the quick help.

Christian
________________________________________
Von: Yann Pouillon [yann.pouillon@ehu.es]
Gesendet: Donnerstag, 18. Juni 2009 15:00
An: forum@abinit.org
Betreff: Re: Re: AW: AW: [abinit-forum] problems with compilation on ibm power

Hi,

ludwigc@uni-mainz.de ha escrito:

> a serial version of abinit has been running now for a while on my IBM POWER5
> machine. The next step was to try to get a parallel version.
> I have mpich installed, compiled with xlf.
> I use ../configure --disable-wannier90 --with-mpi-prefix=/opt/mpich/ch-p4
> --with-fc-optflags="-O2" in my build directory and configure finds my mpi 
> and
> sets paralel build to yes.
> When I type make, first I get something like this
> ABINIT WRAPPER BEGIN
> /lib/cpp -P -std=c89  -DHAVE_CONFIG_H  -I. -I../../../lib/numeric -I../..
> -I../defs -I../../../lib/numeric/../defs ../../../lib/numeric/cgefa.F >
> cgefa_cpp.f
> /opt/mpich/ch-p4/bin/mpif90  -I. -I../../../lib/numeric -I../.. -I../defs
> -I../../../lib/numeric/../defs -qsuffix=cpp=F:f=f -qfixed -O2 -c -o cgefa.o
> cgefa_cpp.f
> gfortran: unrecognized option '-qsuffix=cpp=F:f=f'
> gfortran: unrecognized option '-qfixed'
> ABINIT WRAPPER END

You get this problem because of an inconsistency between serial and
MPI compilers.

Basically, your MPICH installation uses gfortran, which you can check
by typing: "mpif90 -showme". If you want to use xlf, you should
recompile it accordingly.

I don't know which version you are using, thus I can just advise you
to compile a more recent version of Abinit, since a lot of progress is
currently being made on the support of MPI at several levels.

Best regards,

Yann.

--
Yann Pouillon               European Theoretical Spectroscopy Facility (ETSF)
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