[CP2K:928] Re: CP2K compilation on p5series AIX 5.3

[LIANG Yunfeng]

Thanks. See below
================================================
CC       = cc
CPP      = /usr/ccs/lib/cpp
FC       = xlf95 -qsuffix=f=f90
LD       = xlf95
AR       = ar -r -X32_64
DFLAGS   = -D__AIX -D__ESSL -D__FFTSG -D__FFTESSL
CPPFLAGS = -C $(DFLAGS) -P
FCFLAGS  = -O2 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
FCFLAGS2  = -O0 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
LDFLAGS  = $(FCFLAGS) -L/scratch_ibm/yfliang/cp2k/library/lapack-lite-3.1.1/
-bnoquiet\
           -bmaxdata:0x80000000 -bmaxstack:0x80000000
LIBS     = -llapack_RS6K -lessl -lmass -lhm

OBJECTS_ARCHITECTURE = machine_aix.o
pint_types.o: pint_types.F
        $(FC) -c $(FCFLAGS2) $<
cp_fm_diag.o:cp_fm_diag.F
        $(FC) -c $(FCFLAGS2) $<
=========================================================

The above is my arch file. It compiled cp2k successfully and couldn't pass
the Quickstep tests. The cp2k is the version of yesterday. The last line is
just to intend to solve the problem I met.

I compiled the lapack by the following make.inc.

Sincerely, Yunfeng


####################################################################
#  LAPACK make include file.                                       #
#  LAPACK, Version 3.1.1                                           #
#  February 2007                                                   #
####################################################################
#
SHELL = /bin/sh
#
#  The machine (platform) identifier to append to the library names
#
PLAT = _RS6K
#
#  Modify the FORTRAN and OPTS definitions to refer to the
#  compiler and desired compiler options for your machine.  NOOPT
#  refers to the compiler options desired when NO OPTIMIZATION is
#  selected.  Define LOADER and LOADOPTS to refer to the loader and
#  desired load options for your machine.
#
FORTRAN  = xlf
OPTS     = -O2 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
DRVOPTS  = $(OPTS)
NOOPT    = -O0 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
LOADER   = xlf
LOADOPTS = -O2 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
-bnoquiet
#
# Timer for the SECOND and DSECND routines
#
# Default : SECOND and DSECND will use a call to the EXTERNAL FUNCTION ETIME
#TIMER    = EXT_ETIME
# For RS6K : SECOND and DSECND will use a call to the EXTERNAL FUNCTION
ETIME_
TIMER    = EXT_ETIME_
# For gfortran compiler: SECOND and DSECND will use a call to the INTERNAL
FUNCTION ETIME
# TIMER    = INT_ETIME
# If your Fortran compiler does not provide etime (like Nag Fortran
Compiler, etc...)
# SECOND and DSECND will use a call to the INTERNAL FUNCTION CPU_TIME
# TIMER    = INT_CPU_TIME
# If neither of this works...you can use the NONE value... In that case,
SECOND and DSECND will always return 0
# TIMER     = NONE
#
#  The archiver and the flag(s) to use when building archive (library)
#  If you system has no ranlib, set RANLIB = echo.
#
ARCH     = ar -X64
ARCHFLAGS= cr
RANLIB   = ranlib
#
#  The location of the libraries to which you will link.  (The
#  machine-specific, optimized BLAS library should be used whenever
#  possible.)
#
#BLASLIB      = ../../blas$(PLAT).a
BLASLIB     = -lessl
LAPACKLIB    = lapack$(PLAT).a
TMGLIB       = tmglib$(PLAT).a
EIGSRCLIB    = eigsrc$(PLAT).a
LINSRCLIB    = linsrc$(PLAT).a
##############################################################

On Tue, Apr 8, 2008 at 12:02 AM, Teodoro Laino <teodor... at gmail.com>
wrote:

> I have no idea which arch file you're pasting.. but if you have a look at
> AIX-PowerPC_POWER5.popt this is how it looks like in the repository:
>
> ----------------------------------------------------------------------------------------------------------------------------
>  SCALAPACK= /usr/local++/SCALAPACK/pwr5/
> LAPACK   = /afs/caspur.it/user/s/simonem/LAPACK
> FFTW3    = /usr/local++/FFTW/fftw-3.1.2/lib
> AIX_INC  = /usr/local++/FFTW/fftw-3.1.2/include
>  CC       = cc
> CPP      = /usr/ccs/lib/cpp
> FC       = mpxlf95_r -qsuffix=f=f90
> LD       = mpxlf95_r
> AR       = ar -r -X64
> DFLAGS   = -D__AIX -D__ESSL -D__FFTSG -D__FFTESSL -D__FFTW3 \
>            -D__parallel -D__BLACS -D__SCALAPACK
> CPPFLAGS = -C $(DFLAGS) -P -I$(AIX_INC)
>  FCFLAGS  = -O2 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
> FCFLAGS2 = -O0 -q64 -qarch=pwr5 -qcache=auto -qmaxmem=-1 -qtune=pwr5
> LDFLAGS  = $(FCFLAGS) -L$(LAPACK) -L$(SCALAPACK) -L$(FFTW3) \
>            -bnoquiet -bmaxdata:0x800000000  -bmaxstack:0x80000000
> LIBS     = -lscalapack -lblacssmp -llapack_pwr5 -lpesslsmp -lesslsmp
> -lfftw3 -lmass -lhm
>
> OBJECTS_ARCHITECTURE = machine_aix.o
>
> pint_types.o: pint_types.F
>         $(FC) -c $(FCFLAGS2) $<
>
> ----------------------------------------------------------------------------------------------------------------------------
>
> So either you have a prehistoric cvs tree or you modified it by hand.
> So the standard arch file in the repository for POWER5/AIX works perfectly
> for XLF V10.1 series.
>
> Teo
>
>  On 7 Apr 2008, at 17:39, CompilationAIX wrote:
>
>  Very strange you're right, in fact FCFLAGS is defined like that in the
>
> archive (not modified by me).
>
>
>
> >
>
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