The ABINIT Users Mailing List ( CLOSED )

["Chun Li " <chun.li@mf.mpg.de>]

Dear Rebecca,

Thanks a lot for your kind help. I have compiled it successfully just by
following your first suggestion.

Best regards.

Chun Li

-----Original Message-----
From: Rebecca Janisch [mailto:janisch@mrl.ucsb.edu] 
Sent: Wednesday, October 13, 2004 6:22 PM
To: forum@abinit.org
Subject: Re: [abinit-forum] 64-bit compiling on IBM SP

Dear Chun Li,

it seems you did not link in all the numerical libraries. In your 
makefile I would replace

BLAS=
LIBS= $(LAPACK) -lblas

by 

LIBS= $(LAPACK) $(BLAS)

which links in the BLAS libraries that come with the abinit code. 
You might also want to link in the special IBM library ESSL, in case it
exists on your machine. To do so, in the "parallel section" of your
makefile add :

LIBS = ...   -L/*path on your machine*/mass -lessl    -lmpi -lm


I hope this will help. Good luck,
 Rebecca

Chun Li wrote:

>Dear all,
>
>Has anyone ever successfully compiled abinip of the version 4.2.4 on
IBM
>SP running with AIX 5.2? I tried to do that, but received the following
>errors when the compilation is almost completed:
>
>        cd . ;  mpxlf90_r -bloadmap:loadmap -q64 -bmaxdata:4096000000
-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_2spacepar/ar_2spaceparp.a
>Src_1util/ar_1util.a Src_1contract/ar_1contract.a
Src_0basis/ar_0basip.a
>Src_defs/ar_defs.a Lib_fftnew/fftnewp.a Lib_numrecip/numrecip.a
>Lib_lapack/lapack.a -lblas ;  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: The error code from the last command is 8.
>
>
>Stop.
>make: The error code from the last command is 2.
>
>
>Stop.
>user=553.550 system=86.170 real=25:36.86
>
>
>I searched it on the website, for example,
>http://www.ncsa.uiuc.edu/UserInfo/Resources/Hardware/IBMp690/FAQ/p690Co
m
>pilers.html#mpi64, but I have not made the mistake it said. My
>makefile_macros is copied below:
>
>####################################################################
># Note that the compiler are thos for the parallel code.
>
># Machine type
>MACHINE=ibm
># Fortran optimized compilation
>FC=mpxlf90_r
>FFLAGS=-O3 -q64 -qwarn64 -qarch=auto -qtune=auto -qcache=auto -qstrict
>MAIN_ROUTINE_FFLAGS=-qcharlen=16000 -q64
>FFLAGS_LIBS=-O3 -q64 -qwarn64 -qarch=auto -qtune=auto -qcache=auto
>-qstrict -qfixed
>FLINK==-bloadmap:loadmap -q64 -bmaxdata:4096000000 
>AR_COMMAND= ar -X64
># C preprocessor, used to preprocess the fortran source.
>CPP=cpp
>CPP_FLAGS=-P
># C optimized compilation.
>CC=mpcc_r
>CFLAGS=-O3 -q64 -qwarn64 -qstrict
># Location of perl . Used to generate the script fldiff, in
>~ABINIT/Utilities .
>PERL=perl
># Definition of libraries
>BLAS=
>LIBS= $(LAPACK) -lblas
>
>####################################################################
># For the parallel version
> 
>_BASE=/usr/lpp/ppe.poe
>
># Location of directory with header files *.h for parallel version
>FFLAGS_PAR=$(FFLAGS) -I$(_BASE)/include
># Location of the MPI library
>LIBS_PAR=$(LIBS) -L$(_BASE)/lib  -lmpi
>
># This is a last line in makefile_macros ----------
>
>
>Could anyone give me some suggestions? Thanks a lot.
>
>Best regards.
>
>Chun Li
>
>
>  
>

-- 
Rebecca Janisch
Materials Department                            janisch@mrl.ucsb.edu
University of California                        phone +1-805-893-8056
Santa Barbara CA 93106 - 5050                   fax   +1-805-893-8971