Building Molpro for Alpha Linux

[Nick Wilson]

Hi,
The GNU c compiler should be sufficient, you don't need the Compaq c comiler.
If you change the CC line in CONFIG to
CC="gcc -i8"
then it should work.
Nick Wilson

On Friday 27 September 2002 10:01, David Smith wrote:
> Hi,
>
> I am trying to complile molpro on a newly installed alpha linux system
> (RedHat 7.2).
>
> I have downloaded the Compaq compilers and installed them via rpm and
> they seem to work OK for other commercial packages (Gaussian, Amber ..).
>
> The problem I have with molpro is that I don't get past the fist linking
> (ld) step.  That is, the make proceeds with compliling echo.c and then
> the linking step for echo just uses cpu time and does nothing. I have
> tried several variations and, at this stage, I didn't let it try to link
> for more than three hours. However, it is not possible that a simple ld
> command could take anywhere near that long, right ?
>
> The process that is actually chewing cpu time is:
>
> /usr/bin/ld -o echo -i8
> -L/usr/lib/compaq/ccc-6.5.9.001-6/alpha-linux/lib
> -L/usr/lib/gcc-lib/alpha-redhat-linux/2.96
> -L/usr/lib/gcc-lib/alpha-redhat-linux/2.96/../../..
>
> I have included below my CONFIG file. You can see from here that I am
> using the ccc (compaq c compiler), as I understand that gcc can't handle
> 8 bit integers. However, /usr/bin/ld seems to be a gnu utility. This did
> not seem to matter in my other compilations with ccc.
> I do not have a /usr/lib/compaq/ccc-6.5.9.001-6/alpha-linux/lib
> directory (only a man, bin and include but no lib). The other libraries
> associated with the ccc seem to be in /usr/lib which seems to be
> searched as
> /usr/lib/gcc-lib/alpha-redhat-linux/2.96/../../.. above. I added
> /usr/lib to LIBS=" " explicitly in the CONFIG file and, although it was
> searched, it did not help the problem.
>
> In the end I would like to use the system blas and the CONFIG file below
> shows my attempt to do this. However, even if I try with BLAS=0 I still
> can't get past the linker step.
>
> Any suggestions would be greatly appreciated.  Thanks.
>
> CONFIG file to follow.
>
>
>
> # MOLPRO CONFIG generated at Thu Sep 26 12:37:21 CEST 2002 with version
> 2002.3
> #               for host kathy, architecture unix unix-i8 unix-linux
> unix-linux-alpha
> #
> #  insert additional hosts before kathy in above line, if desired
> #
> ARCHITECTURE="unix unix-i8 unix-linux unix-linux-alpha"
>
>
>
> # Compilers ..
> CC="ccc -i8 -DI64"
> FC="fort -i8 -assume no2underscores"
> F90="fort -i8 -assume no2underscores"
> # compiler command to be used only when linking molpro.exe .. eg mpxlf
> on IBM SP
> LINKFC="fort -i8 -assume no2underscores"
> 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="-arch host -tune host -fast -O"
> # compiler explicit no optimisation
> CDEF="-DSEEK=.001 -DSPEED=200000    "
> 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="blas1 blas2 blas3"
> # additional directories to be compiled in mpp case
> MPPDIR=""
> # additional libraries and link options
> LIBS=" "
> LINKOPT="-lcrypt"
> # non-standard location of system libraries
> LIBDIR=""
> # GKS X-windows library
> GKSLIB="-lgks0"
> # BLAS library
> BLASLIB="-L/usr/lib -lcxml"
> # LAPACK library
> LAPACKLIB=""
> # MPP?
> MPP="0"
> MPPX="0"
> WRAPPER=""
> USE_MPI=""
> USE_LAPI=""
> USE_MYRINET=""
> MPI_LIB=""
> MPPNAME=""
> ARCHNAME=""
> MPITYPE=""
> MPIBASEDIR=""
> MYRINET_LIB=""
> MYRINET_LINKPARS=""
> # files in src/ to be compiled without optimization
> F77VERSION="    Compaq Fortran V1.2.0-1882"
> NO_OPT="util/compression.c"
> F_OPT1="multi/musamc.f"
> F_OPT2=" "
> F_OPT3=" "
> C_OPT1=" "
> C_OPT2=" "
> # use malloc replacement?
> GMALLOC="0"
> # 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"
> # installation directories
> INSTBIN="/scr1/molpro/bin"
> INSTLIB="/scr1/molpro/lib"
> INSTHTML="/scr1/molpro/html"
> INSTCGI="/scr1/molpro/cgi"
> # makedepend configuration
> MAKEDEPEND_OPTIONS=""
> MODULE_SUFFIX="mod"
> # non-default libraries
> PARSE=parse-alphaev6-unknown-linux-gnu-i8.o.gz
>
>
>
>
>
>
> ---------------------------------------
> Dr. David Smith
> Department of Chemistry
> Ludwig Maximilians University
> Butenandt-Str. 5-13, D-81377 Munich
> Germany
> Tel.: +49 (0)89 2180 7740
> Fax.: +49 (0)89 2180 7738
> e-mail: David.Smith at cup.uni-muenchen.de
> ---------------------------------------