The ABINIT Users Mailing List ( CLOSED )

["M.T.Storr" <m.t.storr@reading.ac.uk>]

Hi,

I am trying to compile Abinit for an IBM SP3 machine, but am haveing 
problems with Abinit crashing due to not enough memory allocation although 
there is 16Gb available. After looking through the archives I came across 
a similar problem to whihc one of the suggested solutions would be to 
compile in 64 bit mode. I have therefore been trying to do this, but am 
having trouble getting Abinit to compile. I was therefore wondering if 
there was anyone who may be able to help with this. I am including the 
compiler directives used:

###################################################################
# Machine type
MACHINE=ibm
# Fortran optimized compilation
FC=mpxlf90_r
FFLAGS=-O3 -qnolm -qarch=pwr3 -qstrict -q64
MAIN_ROUTINE_FFLAGS=-qcharlen=16000
FFLAGS_LIBS=-O3 -qnolm -qarch=pwr3 -qstrict -qfixed
FLINK=-bloadmap:loadmap
# C preprocessor, used to preprocess the fortran source.
CPP=/usr/lib/cpp
CPP_FLAGS=-P
# C optimized compilation.
CC=mpcc
CFLAGS=-O
# Location of perl . Used to generate the script fldiff, in
~ABINIT/Utilities .
PERL=/usr/local/gnu/bin/perl
# Definition of libraries
BLAS=
LIBS= $(LAPACK) -lblas

####################################################################
# For the parallel version 

# Location of the MPI library
# Location of directory with header files *.h for parallel version
_BASE=/usr/lpp/ppe.poe
INCLUDE_PAR=$(_BASE)/include
FFLAGS_PAR=$(FFLAGS) -I$(INCLUDE_PAR)

The compilation then fails with the following errors:

        cd . ;  mpxlf90_r -bloadmap:loadmap -q64 -o abinip Src_main/abinip.o
Src_9drive/ar_9drive.a Src_8seqpar/ar_8abinip.a Src_7suscep/ar_7suscep.a
Src_6response/ar_6response.a Src_5common/ar_5common.a
Src_4iowfdenpot/ar_4iowfdenpot.a Src_4wfs/ar_4wfs.a Src_3gw/ar_3gw.a
Src_3iovars/ar_3iovars.a Src_3paw/ar_3paw.a Src_3recipspace/ar_3recipspace.a
Src_3xc/ar_3xc.a Src_3xml/ar_3xml.a Src_2nonlocal/ar_2nonlocal.a
Src_2ffts/ar_2ffts.a Src_2psp/ar_2psp.a Src_2geometry/ar_2geometry.a
Src_2parser/ar_2parser.a           Src_1util/ar_1util.a
Src_0basis/ar_0basip.a Src_defs/ar_defs.a Lib_fftnew/fftnew.a
Lib_numrecip/numrecip.a Lib_lapack/lapack.a -lblas -L/usr/lpp/ppe.poe/lib
-lmpi ;  chmod ugo+rx abinip
ld: 0711-317 ERROR: Undefined symbol: .lsame
ld: 0711-317 ERROR: Undefined symbol: .zdscal
ld: 0711-317 ERROR: Undefined symbol: .dznrm2
ld: 0711-317 ERROR: Undefined symbol: .zscal
ld: 0711-317 ERROR: Undefined symbol: .zhpmv
ld: 0711-317 ERROR: Undefined symbol: .zdotc
ld: 0711-317 ERROR: Undefined symbol: .zaxpy
ld: 0711-317 ERROR: Undefined symbol: .zhpr2
ld: 0711-317 ERROR: Undefined symbol: .zgemv
ld: 0711-317 ERROR: Undefined symbol: .zgerc
ld: 0711-317 ERROR: Undefined symbol: .zswap
ld: 0711-317 ERROR: Undefined symbol: .dscal
ld: 0711-317 ERROR: Undefined symbol: .zherk
ld: 0711-317 ERROR: Undefined symbol: .zgemm
ld: 0711-317 ERROR: Undefined symbol: .ztrsm
ld: 0711-317 ERROR: Undefined symbol: .zher2
ld: 0711-317 ERROR: Undefined symbol: .ztrsv
ld: 0711-317 ERROR: Undefined symbol: .ztrmv
ld: 0711-317 ERROR: Undefined symbol: .zhemm
ld: 0711-317 ERROR: Undefined symbol: .zher2k
ld: 0711-317 ERROR: Undefined symbol: .ztrmm
ld: 0711-317 ERROR: Undefined symbol: .zhemv
ld: 0711-317 ERROR: Undefined symbol: .zcopy
ld: 0711-317 ERROR: Undefined symbol: .ztpsv
ld: 0711-317 ERROR: Undefined symbol: .zhpr
ld: 0711-317 ERROR: Undefined symbol: .ztpmv
ld: 0711-317 ERROR: Undefined symbol: .ddot
ld: 0711-317 ERROR: Undefined symbol: .dgemv
ld: 0711-317 ERROR: Undefined symbol: .dsyrk
ld: 0711-317 ERROR: Undefined symbol: .dgemm
ld: 0711-317 ERROR: Undefined symbol: .dtrsm
ld: 0711-317 ERROR: Undefined symbol: .izamax
ld: 0711-317 ERROR: Undefined symbol: .dcopy
ld: 0711-317 ERROR: Undefined symbol: .dasum
ld: 0711-317 ERROR: Undefined symbol: .idamax
ld: 0711-317 ERROR: Undefined symbol: .dnrm2
ld: 0711-317 ERROR: Undefined symbol: .zgeru
ld: 0711-317 ERROR: Undefined symbol: .dswap
ld: 0711-317 ERROR: Undefined symbol: .dger
ld: 0711-317 ERROR: Undefined symbol: .dtrmv
ld: 0711-317 ERROR: Undefined symbol: .dtrmm
ld: 0711-317 ERROR: Undefined symbol: .cgerc
ld: 0711-317 ERROR: Undefined symbol: .icamax
ld: 0711-317 ERROR: Undefined symbol: .cswap
ld: 0711-317 ERROR: Undefined symbol: .cscal
ld: 0711-317 ERROR: Undefined symbol: .cgeru
ld: 0711-317 ERROR: Undefined symbol: .ctrsm
ld: 0711-317 ERROR: Undefined symbol: .cgemm
ld: 0711-317 ERROR: Undefined symbol: .ctrmv
ld: 0711-317 ERROR: Undefined symbol: .ctrmm
ld: 0711-317 ERROR: Undefined symbol: .cgemv
ld: 0711-344 See the loadmap file loadmap for more information.
make: 1254-004 The error code from the last command is 8.


Stop.
make: 1254-004 The error code from the last command is 2.


Stop.

----------------------------------------------------------------------------


The loadmap file contains this at its end-

----------------------------------------------------------------------------

FILELIST: Number of previously inserted files processed: 37
(ld): initfini poe_remote_main 
(ld): resolve
RESOLVE: 2172 of 12940 symbols were kept.
(ld): addgl /usr/lib/glink64.o
ADDGL: Glink code added for 132 symbols.
(ld): er full
ld: 0711-318 ERROR: Undefined symbols were found.
        The following symbols are in error:
 Symbol                    Inpndx  TY CL Source-File(Object-File) OR
Import-File{Shared-object}
                              RLD: Address  Section  Rld-type Referencing
Symbol
 
----------------------------------------------------------------------------
 .lsame                    [20]    ER PR
ctrti2.f(Lib_lapack/lapack.a[ctrti2.o])
                                   000000a0 .text    R_RBR    [6]
.ctrti2
                                   000000c4 .text    R_RBR    [6]
.ctrti2
                                   000000e8 .text    R_RBR    [6]
.ctrti2
                                   000001e0 .text    R_RBR    [6]
.ctrti2
 .lsame                    [21]    ER PR
ctrtri.f(Lib_lapack/lapack.a[ctrtri.o])
                                   0000009c .text    R_RBR    [6]
.ctrtri
                                   000000c0 .text    R_RBR    [6]
.ctrtri
                                   000000e4 .text    R_RBR    [6]
.ctrtri
                                   000001fc .text    R_RBR    [6]
.ctrtri


and so it goes on.
Sorry for the length of the mail, but any help would be great.

Many Thanks

Mark
-- 
Mark T. Storr
Research Fellow
School of Chemistry
University of Reading
PO Box 224
Whiteknights
Reading
Berkshire
RG6 6AD
Tel: +44 (0)118 9875123 Ext. 7415
E-mail: M.T.Storr@reading.ac.uk