[molpro-user] Compilation in IBM AIX5.3
Andy May
MayAJ1 at Cardiff.ac.uk
Fri Feb 1 07:07:23 GMT 2008
Min,
The first line of the log file:
ERROR: 0031-808 Hostfile or pool must be used to request nodes
is not a Molpro related error. I am afraid I don't know much about the
AIX system, but this should be fixed first.
The status of AIX support is correct on the Molpro website, the code has
worked in the past but we don't have access to test. From the user
mailing list it is clear that some users have Molpro working on AIX, but
there are clearly some issues which would be nice to fix. We have been
trying to get access to a system directly through IBM for some time, and
hopefully we will finish this process in the near future, then we can
fully support AIX once again.
Best wishes,
Andy
Min Seung Kyu wrote:
> 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.
>
>
>
>
>
>
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