[molpro-user] Compilation in IBM AIX5.3

Mon Jan 28 10:46:51 GMT 2008

Dear molpro users,

I want to compile molpro2006.1 on IBM AIX5.3 machines.

When I type 'make' command, I got these lines:

---------------
make[1]: Entering directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: `echo' is up to date.
make[1]: Leaving directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: Entering directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: `ftc' is up to date.
make[1]: Leaving directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: Entering directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: `ftconv.exe' is up to date.
make[1]: Leaving directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: Entering directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: `makedepend' is up to date.
make[1]: Leaving directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: Entering directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: `patcher' is up to date.
make[1]: Leaving directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: Entering directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: `sortpatchlist' is up to date.
make[1]: Leaving directory 
`/home01/e390kks/prog/src/molpro2006.1/utilities'
make[1]: Entering directory `/home01/e390kks/prog/src/molpro2006.1/src'
make[2]: Entering directory `/home01/e390kks/prog/src/molpro2006.1/lib/df'
make[3]: Entering directory `/home01/e390kks/prog/src/molpro2006.1/lib/df'
make[3]: Nothing to be done for `registry'.
make[3]: Leaving directory `/home01/e390kks/prog/src/molpro2006.1/lib/df'
make[2]: Leaving directory `/home01/e390kks/prog/src/molpro2006.1/lib/df'
make[2]: Entering directory 
`/home01/e390kks/prog/src/molpro2006.1/src/global'
make[3]: Entering directory 
`/home01/e390kks/prog/src/molpro2006.1/src/global'
global_module_dummy.f90: preprocessing ... *** Preprocessor failure ***
make[3]: *** [global_module_dummy.o] Error 1
xmloutput.f90: preprocessing ... *** Preprocessor failure ***
make[3]: *** [xmloutput.o] Error 1
make[3]: Target `result.o' not remade because of errors.
make[3]: Leaving directory 
`/home01/e390kks/prog/src/molpro2006.1/src/global'
make[2]: *** [objects] Error 2
make[2]: Leaving directory 
`/home01/e390kks/prog/src/molpro2006.1/src/global'
make[1]: *** [global] Error 2
make[1]: Leaving directory `/home01/e390kks/prog/src/molpro2006.1/src'
make: *** [src] Error 2
--------

What causes '*** Preprocessor failure ***' ??

Are there anybody who got these messages before?

I open log file in src/global folder, and it contains
----
ERROR: 0031-808  Hostfile or pool must be used to request nodes
!! ftconv error
----

My CONFIG file is following :

----------
# MOLPRO CONFIG generated at Mon Jan 28 19:45:39 KORST 2008 with version 
2006.1
#               for host gaia, architecture unix unix-i8 unix-ibm
#
#  insert additional hosts before gaia in above line, if desired
#
ARCHITECTURE="unix unix-i8 unix-ibm mppx"

#If you have a POWER2 machine, consider adding -qarch=pwr2 to the FOPT 
options. Power3 should just work.

# Compilers ..
CC="cc -q64 -qmaxmem=-1"
FC="/usr/bin/xlf_r -I. -I/home01/e390kks/prog/src/molpro2006.1/src -NA16384 -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm 
-qarch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc"
F90="/usr/bin/xlf_r -I. -I/home01/e390kks/prog/src/molpro2006.1/src -NA16384 -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm 
-qarch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc -qsuffix=f=f90 -qfree=f90"
# compiler command to be used only when linking molpro.exe .. eg mpxlf on 
IBM SP
LINKFC="/usr/bin/xlf_r -I. -I/home01/e390kks/prog/src/molpro2006.1/src -NA16384 -NQ20000 -qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm 
-qarch=auto -q64 -qwarn64 -qintsize=8 -Wl,-bbigtoc"
YACC="yacc"
ARFLAGS="-X64 -r"
PERL="1"
PERLEXE="/usr/bin/perl"
PERLVERSION="5.008002"
# C defines
# nb    SEEK is disk seek speed in seconds
#       SPEED is disk transfer rate in 8 bytes/second
# compiler optimisation
COPT="-O2"
FOPT="-O3"
# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=200000 -qarch=auto -DI64 -q64 -qwarn64 -DAIX42 -DAIX5 -DNOALRM -DUSE_LAPI -DMPIGM_FORMAT=1 -DHAVE_INTTYPES_H 
-DMOLPRO_GETOPTLONG   -DMA_ALLOC -DMOLPROC_PAR"
CNOPT=" "
COPT1="-O1"
COPT2="-O2"
FNOPT=" "
FOPT1="-O1"
FOPT2="-O2"
FOPT3="-O3 -qnosave"
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC=" "
# 64-bit integers
FI64="-qintsize=8"
# profiling
FPROFILE="-p"
CPROFILE="-p"
# additional pre-processor flags
FTCFLAGS="mppx eaf blas4"
# additional directories to be compiled in mpp case
MPPDIR="mpp"
SLATERDIR=""
# additional libraries and link options
LIBS=" "
LINKOPT=" "
# non-standard location of system libraries
LIBDIR=""
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB="-lessl -lpessl -lblacs"
# LAPACK library
LAPACKLIB=""
# MPP?
MPP="1"
MPPX="1"
SLATER=0
WRAPPER="/usr/bin/poe"
USE_MPI=""
USE_LAPI="1"
USE_MYRINET=""
MPI_LIB=""
MPPNAME="lapi"
ARCHNAME=""
MPITYPE=""
MPIBASEDIR=""
MYRINET_LIB=""
MYRINET_LINKPARS=""
MPIGM_FORMAT="1"
USE_GIO="0"
USE_GATOOLS="0"
# files in src/ to be compiled without optimization
F77VERSION="10.1.0.6"
FORTVERSION="xlf10.1.0.6"
NO_OPT=""
F_OPT1="mrci/ciinp.f sapt/response.f90"
F_OPT2="Molcas/pget2.f dtraf/dtfint2.f blas/mxm.f blas/mxm3.f blas/mxm4.f 
local/mxmadd.f"
F_OPT3="explicit/explicit_util.f util/getvar.f eom/ldip.f"
C_OPT1=" "
C_OPT2=" "
# ranlib command (if not needed, true)
RANLIB="true"
# ls command to get user and group
LSFULL="ls -l"
# cp -p if it exists, else cp
CP="cp -p"
# tar command
TAR="tar"
# awk command
AWK="awk"
# strip command
STRIP="strip -X 32_64"
# installation directories
INSTBIN="/home01/e390kks/prog/src/mp_bin"
INSTLIB="/home01/e390kks/prog/src/mp_bin/aix"
INSTHTML="/home01/e390kks/public_html/molpro/molpro2006.1"
INSTCGI=" /home01/e390kks/public_html/molpro/molpro2006.1"
# makedepend configuration
MAKEDEPEND_OPTIONS=""
MODULE_SUFFIX="mod"
MODULE_FLAG="-I"
# non-default libraries
WRAPPER_lapi=/usr/bin/poe
LINKFC_lapi="/usr/bin/mpxlf_r -I. 
-I/home01/e390kks/prog/src/molpro2006.1/src -NA16384 -NQ20000 -qzerosize 
-qcharlen=1024 -qextname -qmaxmem=-1 -qnolm -qarch=auto -q64 -qwarn64 
-qintsize=8 -Wl,-bbigtoc "
LINKFC_mpi="/usr/bin/mpxlf_r -I. 
-I/home01/e390kks/prog/src/molpro2006.1/src -NA16384 -NQ20000 -qzerosize 
-qcharlen=1024 -qextname -qmaxmem=-1 -qnolm -qarch=auto -q64 -qwarn64 
-qintsize=8 -Wl,-bbigtoc "
PARSE=parse-rs6000-ibm-aix5.3.0.0-i8.o.gz
----

Please help me.

Thank you in advance.

Sincerely, Min.