Dear All, I have just tried to install molpro on our opteron machine with pg compiler v5.2
I get this upon ./configure -i4 -pgf Cannot link with any objects ! This architecture or combination of architecture and integer size is proably not supported. Sorry .... my CONFIG file is as follows # ARCHITECTURE="unix unix-i4 unix-linux unix-linux-x86_64" # Compilers .. CC="cc -Dpgf90 -m32 -D__x86_64__" FC="/opt/apps/pgi/linux86/5.2/bin/pgf90 -pc 64 -i4 " F90="/opt/apps/pgi/linux86/5.2/bin/pgf90 -pc 64 -i4 " # compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP LINKFC="/opt/apps/pgi/linux86/5.2/bin/pgf90 -pc 64 -i4 " 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="-O3" FOPT="-fast" # compiler explicit no optimisation CDEF="-DSEEK=.001 -DSPEED=200000 -DLARGEFILES -DHAVE_INTTYPES_H " CNOPT=" " COPT1="-O1" COPT2="-O2" FNOPT=" " 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="olddiag2 blas1 blas2 blas3 lapack" # additional directories to be compiled in mpp case MPPDIR="" # additional libraries and link options LIBS=" " LINKOPT="-g77libs" # non-standard location of system libraries LIBDIR="" # GKS X-windows library GKSLIB="-lgks0" # BLAS library BLASLIB="-L/usr/local/molpro2002.6/blaslibs -lcblas -lf77blas -latlas -R/usr/local/molpro2002.6/blas libs" # LAPACK library LAPACKLIB="-L/usr/local/molpro2002.6/blaslibs -llapack -R/usr/local/molpro2002.6/blaslibs" # MPP? MPP="0" MPPX="0" WRAPPER="" USE_MPI="" USE_LAPI="" USE_MYRINET="" MPI_LIB="" MPPNAME="" ARCHNAME="amd64" MPITYPE="" MPIBASEDIR="" MYRINET_LIB="" MYRINET_LINKPARS="-lpthread" MPIGM_FORMAT="0" USE_GIO="0" # files in src/ to be compiled without optimization F77VERSION="pgf90 5.2-4" NO_OPT="casvb/symut_cvb.f opt/numforces.f" F_OPT1="mrci/citrdm.f blas/lapack1.f casvb/ci_cvb.f seward/qzit.f" F_OPT2="mrci/cigvec.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/bin" INSTLIB="/usr/local/lib/molpro-Linux-x86_64-i4-2002.6" INSTHTML="" INSTCGI="" # makedepend configuration MAKEDEPEND_OPTIONS="" MODULE_SUFFIX="mod" # non-default libraries BLASLIB_amd64="-L/usr/local/molpro2002.6/blaslibs -lcblas -lf77blas -latlas -R/usr/local/molpro2002. 6/blaslibs" LAPACKLIB_amd64="-L/usr/local/molpro2002.6/blaslibs -llapack -R/usr/local/molpro2002.6/blaslibs" Thanks in advance, 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
