[molpro-user] Compile Molpro 2002.6 Itanium2 SuSE: Preprocessor Failure

[Joseph Lane]

We have recently upgraded our OS from a Redhat based system (Sgi Propack  
3) to a SuSE based system (SGI Propack 4). I am trying to recompile molpro  
but I am getting some unusual errors relating to "preprocessor failure"


fci2.f: dft.f: preprocessing ... preprocessing ... preprocessing ... ***  
Preprocessor failure ***
gmake[3]: *** [cpproj.o] Error 1
*** Preprocessor failure ***
*** Preprocessor failure ***
gmake[3]: *** [fci2.o] Error 1gmake[3]: *** [dft.o] Error 1

argos.f: preprocessing ... lsint2.f: preprocessing ... gmake[2]: Entering  
directory `/home/qchem/molpro2002.6/src/util'
cpps.f: preprocessing ... dftfun.f: *** Preprocessor failure ***
*** Preprocessor failure ***
gmake[3]: *** [lsint2.o] Error 1
gmake[3]: *** [argos.o] Error 1
preprocessing ... fci.f: preprocessing ... *** Preprocessor failure ***
gmake[3]: *** [cpps.o] Error 1
gmake[3]: Leaving directory `/home/qchem/molpro2002.6/src/cpp'
gmake[2]: *** [objects] Error 2
gmake[2]: Leaving directory `/home/qchem/molpro2002.6/src/cpp'
gmake[1]: *** [cpp] Error 2
*** Preprocessor failure ***
gmake[3]: *** [dftfun.o] Error 1
*** Preprocessor failure ***
gmake[3]: *** [fci.o] Error 1
gmake[3]: Leaving directory `/home/qchem/molpro2002.6/src/fci'
gmake[2]: *** [objects] Error 2
gmake[2]: Leaving directory `/home/qchem/molpro2002.6/src/fci'
gmake[1]: *** [fci] Error 2
gmake: *** [src] Error 2
qchem at ou019132:~/molpro2002.6> argosgr.f: lsint.f: preprocessing ...  
preprocessing ... *** Preprocessor failure ***
gmake[3]: *** [lsint.o] Error 1
*** Preprocessor failure ***


My config file is as follows:

# MOLPRO CONFIG generated at Thu Feb 16 10:35:56 NZDT 2006 with version  
2002.6
#               for host ou019132, architecture unix unix-i8 unix-linux  
unix-linux-ia64
#
#  insert additional hosts before ou019132 in above line, if desired
#
ARCHITECTURE="unix unix-i8 unix-linux unix-linux-ia64 mpp"



# Compilers ..
CC="/opt/intel/cc/9.0/bin/ecc -DI64 -DALTIX -ftz"
FC="/opt/intel/fc/9.0/bin/efc -WB -ftz -r8 -i8 -w -allow fpp_comments"
F90="/opt/intel/fc/9.0/bin/efc -WB -ftz -r8 -i8 -w"
# compiler command to be used only when linking molpro.exe .. eg mpxlf on  
IBM SP
LINKFC="/opt/intel/fc/9.0/bin/efc -WB -ftz -r8 -i8 -w -openmp  
-Wl,-rpath,/opt/intel/fc/9.0/bin//efc"
YACC="bison -b y"
ARFLAGS="-r"
# C defines
# nb	SEEK is disk seek speed in seconds
#	SPEED is disk transfer rate in 8 bytes/second
# compiler optimisation
COPT="-O2"
FOPT="-O2"
# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=200000   -DLARGEFILES -DUSE_MPI -DZLIB  
-DHAVE_INTTYPES_H   -DMA_ALLOC -DMOLPROC_PAR"
CNOPT="-O0"
COPT1="-O1"
COPT2="-O2"
FNOPT="-O0"
FOPT1="-O1"
FOPT2="-O2"
FOPT3="-O3"
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC=" "
# 64-bit integers
FI64=" "
# profiling
FPROFILE="-p"
CPROFILE="-p"
# additional pre-processor flags
FTCFLAGS="mpp eaf lapack blas1 blas2 blas3"
# additional directories to be compiled in mpp case
MPPDIR="mpp"
# additional libraries and link options
LIBS="-lz -Vaxlib -lcrypt -lpthread"
LINKOPT=" "
# non-standard location of system libraries
LIBDIR="/home/qchem/ga-3-4b/lib/LINUX64" 		
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB="-L/usr/lib -lscs_i8 -Wl,-rpath,/usr/lib"
# LAPACK library
LAPACKLIB=""
# MPP?
MPP="1"
MPPX="0"
WRAPPER="/usr/bin/mpirun"
USE_MPI="1"
USE_LAPI=""
USE_MYRINET=""
MPI_LIB="-lmpi"
MPPNAME="mpi"
ARCHNAME=""
MPITYPE=""
MPIBASEDIR="/usr"
MYRINET_LIB=""
MYRINET_LINKPARS=""
MPIGM_FORMAT="0"
USE_GIO="0"
# files in src/ to be compiled without optimization
F77VERSION="Version 9.0    Build 20051020 Package ID: l_fc_c_9.0.028"
NO_OPT="molpro.f util/syscon.f util/driver.f util/util.f util/getmem.f  
mrci/cigpq2.f mrci/cirs2util2.f direct/dkexts.f ccsd/cckext.f  
ccsd/ccgradex.f ccsd/t2tran.f local/mxmadd.f Molcas/ip_of_work.f  
Molcas/ip_of_iwork.f prop/prop.f prop/propa.f opt/optgeo.f lsint/lsint.f  
opt/frequencies.f util/zmatrix.f seward/sew_molpro.f lsint/sodriver.f  
util/getinp.f Molcas/relsew.f"
F_OPT1="Molcas/angular.f"
F_OPT2=" "
F_OPT3=" "
C_OPT1=" "
C_OPT2=" "
# ranlib command (if not needed, true)
RANLIB="ranlib"
# 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"
# installation directories
INSTBIN="/usr/local/bin"
INSTLIB="/usr/local/lib/molpro-mpp-Linux-ia64-i8-2002.6"
INSTHTML=""
INSTCGI=""
# makedepend configuration
MAKEDEPEND_OPTIONS="-M"
MODULE_SUFFIX="d"
# non-default libraries
LIBDIR_mpi=/home/qchem/ga-3-4b/lib/LINUX64
WRAPPER_mpi=/usr/bin/mpirun
PARSE=parse-ia64-unknown-linux-gnu-i8_040706.o.gz











Any help would be greatly appreciated


Cheers


-- 
Joseph Lane
Department of Chemistry
University of Otago
P.O. Box 56
Dunedin, New Zealand
ph +64 3 479 5214
email : jlane at alkali.otago.ac.nz