SGI MIPS 64CPU install problem

[Nick Wilson]

Dear Martyn,
You've probably used the wrong target when building global arrays. There 
are 3 targets for SGI machines: SGI, SGI_N32 and SGITFP. The first two 
produce 32 bit libraries which won't link with a 64 bit molpro build so 
you probably should be using the SGITFP target.

Best wishes,
Nick

Wheeler, Dr M.D. wrote:
> 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