SGI MIPS 64CPU install problem

Wheeler, Dr M.D. mdw10 at leicester.ac.uk
Thu Oct 16 12:36:24 BST 2003


Dear All,
We are currently tring to install molpro2002.6 onto an SGI MIPS 64CPU machine, however, the compilation fails at link time  

gmake[2]: Leaving directory `/software/molpro2002.6/src/mpp'
if [ ! -r ../lib/libmolpro.a ]; then \
  echo "Rebuilding ../lib/libmolpro.a from scratch" ;\
  ar  -q ../lib/libmolpro.a licence.o ; \
  ar  -q ../lib/libmolpro.a [A-Z]*/*.o ; \
  ar  -q ../lib/libmolpro.a [a-h]*/*.o ; \
  ar  -q ../lib/libmolpro.a [i-z]*/*.o ; \
  true ../lib/libmolpro.a ; \
else \
  echo "Updating ../lib/libmolpro.a" ;\
  gmake ../lib/libmolpro.a ; \
fi
Updating ../lib/libmolpro.a
gmake[2]: Entering directory `/software/molpro2002.6/src'
ar -r ../lib/libmolpro.a licence.o ;\
  true ../lib/libmolpro.a
gmake[2]: Leaving directory `/software/molpro2002.6/src'
gmake[1]: Leaving directory `/software/molpro2002.6/src'
link date: 16 Oct 2003 10:25:01 ; version: 2002.6
Installed patches: dft_orbital_hi enest_dummy fujitsu-ssl2 fujitsu_conf
modelopt molden_orbital_normalization mpputil mxm_fujitsu nec_parse
patcher_printf posinp readop_multipole_np 
molver.f: compiling ... done
linking /software/molpro2002.6/bin/molprop_2002_6_mpi.exe
link failed
f90 -G0 -64 -mips4 -macro_expand -i8 -O3 -mp -o
/software/molpro2002.6/bin/molprop_2002_6_mpi.exe molver.o molpro.o
-L/software/molpro2002.6/lib -lmolpro -L/software/molpro2002.6/lib
-lglobal -lgks0 -lblas -L/software/molpro2002.6/lib -lglobal
ld64: FATAL   11 : Object file format error
(/software/molpro2002.6/lib/libglobal.a): invalid header
gmake: *** [bin/molprop_2002_6_mpi.exe] Error 1

my CONFIG file looks like:
# MOLPRO CONFIG generated at Thu Oct 16 10:22:35 BST 2003 with version 2002.6
#               for host hex.star.le.ac.uk, architecture unix unix-i8 unix-iris
#
#  insert additional hosts before hex.star.le.ac.uk in above line, if desired
#
ARCHITECTURE="unix unix-i8 unix-iris mpp"



# Compilers ..
CC="cc -G0 -64 -mips4 -i8 -DI64 -DIRIX64"
FC="f90 -G0 -64 -mips4 -macro_expand -i8"
F90="f90 -G0 -64 -mips4 -macro_expand -i8"
# compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP
LINKFC="f90 -G0 -64 -mips4 -macro_expand -i8"
YACC="yacc"
ARFLAGS="-r"
# C defines
# nb	SEEK is disk seek speed in seconds
#	SPEED is disk transfer rate in 8 bytes/second
# compiler optimisation
COPT="-O3"
FOPT="-O3"
# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=3000000   -DUSE_MPI -DHAVE_INTTYPES_H   -DMA_ALLOC -DMOLPROC_PAR"
CNOPT=" "
COPT1="-O1"
COPT2="-O2"
FNOPT=" "
FOPT1="-O1"
FOPT2="-O2"
FOPT3="-O3"
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC="-static"
# 64-bit integers
FI64="-i8"
# profiling
FPROFILE="-p"
CPROFILE="-p"
# additional pre-processor flags
FTCFLAGS="sgif90 mpp eaf blas4"
# additional directories to be compiled in mpp case
MPPDIR="mpp"
# additional libraries and link options
LIBS=" "
LINKOPT="-mp"
# non-standard location of system libraries
LIBDIR=""
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB="-lblas"
# 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="7.3"
NO_OPT=" "
F_OPT1="util/driver.f opt/frequencies.f casvb/casvb_ci.f ccsd/ucckext.f ccsd/ccdiis.f"
F_OPT2="Molcas/dmpinf.f prop/propa.f util/transform.f util/rebas.f blas/matrix.f cfit/cfit_util.f multi/muinp1.f"
F_OPT3=" "
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"
# installation directories
INSTBIN="/usr/local/molpro/bin"
INSTLIB="/usr/local/molpro/lib/molpro-mpp-IRIX64-i8-2002.6"
INSTHTML=""
INSTCGI=""
# makedepend configuration
MAKEDEPEND_OPTIONS="-u"
MODULE_SUFFIX="mod"
# non-default libraries
WRAPPER_mpi=/usr/bin/mpirun
PARSE=parse-mips-sgi-irix6.2-i8.o.gz
LICENCE_KEY=

Thanks in adavance
Martyn


----------------------------------------------
Dr. Martyn D. Wheeler
Department of Chemistry
University of Leicester
University Road
Leicester, LE1 7RH, UK.
Tel (office): +44 (0)116 252 3985
Tel (lab):    +44 (0)116 252 2115
Fax:          +44 (0)116 252 3789
Email:        martyn.wheeler at le.ac.uk
http://www.le.ac.uk/chemistry/staff/mdw10.html




More information about the Molpro-user mailing list