The ABINIT Users Mailing List ( CLOSED )

[verstraete@pcpm.ucl.ac.be]

Hello Mark,

Here is a makefile_macros for our IBM 44P machine, in 64 bits (it's not 
in the abinit package yet). It works perfectly with 4.0.3, but I've had a 
few bugs under 4.1.2

However, it looks more like you can't find the BLAS and/or LAPACK 
libraries. The default is to use the abinit-provided versions. You could 
try that (don't define the LIBS variable). It could be that your libs are 
compiled in 32 bits or something.

Matthieu


On Thu, 5 Jun 2003, M.T.Storr wrote:

> 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
> 

-- 
===================================================================
Matthieu Verstraete               mailto:verstraete@pcpm.ucl.ac.be 
PCPM, Boltzmann, pl. Croix du Sud, 1            tel: 010/ 47 86 81
B-1348 Louvain-la-Neuve  Belgium                fax: 010/ 47 34 52

# This file contains the definitions needed for every possible script
# to be used with the ABINIT makefiles.  It is very much machine-dependent.
# It is read by makemake and makearch.

# This version for an ibm rs6000 model 44P in Louvain-la-Neuve.
# 64 bits version (the MPI libs must be coherent with this choice)

# Explanations about this file can be found in the  help.makefile_macros file,
# in the Infos subdirectory

####################################################################
# For the sequential version 

# Machine type
MACHINE=ibm
# Fortran optimized compilation
FC=xlf95
FFLAGS=-O4 -q64 -bmaxdata:2700000000 -qarch=auto -qtune=auto -qstrict 
-qsuppress=1520-003 -qspill=2000 -g
# This option (->) suppresses error messages -qsuppress=1520-022
MAIN_ROUTINE_FFLAGS=-qcharlen=16000
FFLAGS_LIBS=-O4 -q64 -qarch=auto -qtune=auto -qstrict -qfixed 
-qsuppress=1520-003
#The maximum memory is on the order of 1GB=1.1d9 bytes
FLINK=-bloadmap:loadmap -q64 -bmaxdata:2700000000
AR_COMMAND= ar -X64
# C preprocessor, used to preprocess the fortran source.
#CPP=/lib/cpp
CPP=/usr/ccs/lib/cpp -E
CPP_FLAGS=-P
# C optimized compilation.
CC=xlc
CFLAGS=-O3 -q64 -qstrict
# Location of perl . Used to generate the script fldiff, in ~ABINIT/Utilities 
.
PERL=/bin/perl

####################################################################
# For the parallel version 
_BASE=/usr/lpp/ppe.poe

# Location of directory with header files *.h for parallel version
FFLAGS_PAR=$(FFLAGS) -I$(_BASE)/include
# Location of the MPI library
LIBS_PAR=$(LIBS) -L$(_BASE)/lib  -lmpi

# This is a last line in makefile_macros ----------