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: [EMAIL PROTECTED] http://www.le.ac.uk/chemistry/staff/mdw10.html
