The ABINIT Users Mailing List ( CLOSED )

[dylu@ucdavis.edu]

Hello:
     I had some trouble of compiling abinip 5.1.2 on IBM Power 4+ machines 
running AIX 5.2 , and the MPI code is poe. After reading the ABINIP tutorial, 
I found the following paprallel parameters:

# the location of the mpif.h include file: /usr/lpp/ppe.poe/include
# the name and location of the MPI library file (ending with .a);
-L/usr/lpp/ppe.poe/lib -lmpi (I'm not sure if I should use libmpi.a or 
libmpi_r.a)

In the make file, I specified the include path and the FCFLAGS as the 
following:

INCLUDES = -I../defs -I/usr/lpp/ppe.poe/include
FCFLAGS = -O2 -g -qnoipa -q64 -qarch=pwr4 -qtune=pwr4 -qfree 
-qalias=noaryovrlp

Abinip was made by:
mpxlf90_r -I/usr/lpp/ppe.poe/include -qsuffix=cpp=F90 -O2 -g -qnoipa -q64 
-qarch=pwr4 -qtune=pwr4 -qfree -qalias=noaryovrlp -o abinip abinip-abinit.o 
../../src/11drive/lib11drive.a ../../src/08seqpar/lib08seqparp.a 
../../src/07suscep/lib07suscep.a ../../src/06response/lib06response.a 
../../src/06geomoptim/lib06geomoptim.a ../../src/05gw/lib05gw.a 
../../src/05common/lib05common.a ../../src/04occeig/lib04occeig.a 
../../src/04iowfdenpot/lib04iowfdenpot.a ../../src/04wfs/lib04wfs.a 
../../src/03ionetcdf/lib03ionetcdf.a ../../src/03iovars/lib03iovars.a 
../../src/03paw/lib03paw.a ../../src/03recipspace/lib03recipspace.a 
../../src/03xc/lib03xc.a ../../src/03xml/lib03xml.a 
../../src/03nonlocal/lib03nonlocal.a ../../src/02nlstrain/lib02nlstrain.a 
../../src/02ffts/lib02ffts.a ../../src/02psp/lib02psp.a 
../../src/02geometry/lib02geometry.a ../../src/02parser/lib02parser.a 
../../src/02spacepar/lib02spaceparp.a ../../src/lib01fftnew/liblib01fftnewp.a 
../../src/01contract/lib01contract.a ../../src/01managempi/lib01managempip.a 
../../src/01util/lib01util.a ../../src/00basis/lib00basis.a 
../../src/defs/libdefs.a -L../../lib/numeric -lnumeric -L../../lib/numericf90 
-lnumericf90 -L../../lib/lapack -llapack -L/usr/local/apps32/scalapack 
-lscalapack -L../../lib/blas -lblas -lessl -L/usr/lpp/ppe.poe/lib -lmpi

    Make abinip succeeded, but the binary seems to be still sequential. I did 
several tests with
    poe abinitp -np n <input > output
    But I alway found in the header of the output: "Version 5.1.2  of ABINIT
 (sequential version, prepared for a powerpc_aix5.2.0.0_UNKNOWN computer)".
It seemed to me that each CPU finished the calculation indenpendently instead 
of a parallel computing.
    Does anybody know what is going wrong?
    Thanks
    Deyu Lu