[molpro-user] trouble configuring molpr2002.6 on dual itanium with HPUX

Garold Murdachaew garold at physics.udel.edu
Wed Oct 27 18:44:20 BST 2004


I am trying to install molpro2002.6 on a dual itanium with HPUX
system.  However, when I try to configure, I get the following:

[20] % ./configure
Machine architecture is unix unix-i8 unix-hp unix-ia64
Your current f90 compiler version is
HP F90 v2.8
Please enter your licence key
(default ): 
<I removed this line>
Enter max number of atoms [ 200]: 
Enter max number of valence orbitals [ 300]: 
Enter max number of basis functions [2000]: 

If you wish to use a system BLAS library, please give the maximum
level (0, 1, 2, 3, or 4) of BLAS to be supplied by the system
If the system blas only supports 32 bit integers, only 0 or 4 can be used
4 is recommended for IBM, SGI, SUN, FUJITSU
(default 3): 

Please give any loader options (-L, -l) needed to access the BLAS library
(default -L/opt/mlib/lib/hpux64:-lveclib8): 
-L/opt/mlib/lib/hpux64 -lveclib8
Installed binaries directory [/usr/local/bin]

Installed auxiliary directory [/usr/local/lib/molpro-HP-UX-i8-2002.6]

Installed HTML documentation directory 
[/home/garold/public_html/molpro/molpro2002.6]

Installed CGI script directory 
[/home/garold/public_html/molpro/molpro2002.6]

old CONFIG saved as CONFIG.old
Cannot link with any objects !
This architecture or combination of architecture and integer
size is proably not supported. Sorry ....
[21] % 



Could the problem be that I have not patched with latest set of patches?  
If so, could you please send me the latest patches (since 2003)?
Note that I had patched with these patches that I had locally (in a 
.molpro/cache/ dir):

[114] % utilities/patcher --list
Fetching http://www.molpro.net/patch/2002.6/contents.html .../bin/bash: 
-c: line 0: syntax error near unexpected token `('
/bin/bash: -c: line 0: `wget -N --http-user=(null) --http-passwd=(null) -q 
-O contents.html http://www.molpro.net/patch/2002.6/contents.html 
>>/home/garold/molpro2002.6/patcher.log 2>&1'
 FAILED
warning: cannot get list of patches from http://www.molpro.net
Continuing in local mode
Examining installed patches ... OK (22)
The following patches are installed: readop_multipole_nps darwin_conf 
pseudo_libmol2 cidps_orthp merge_orbdom sun_forte8 ga_conflict2 opteron2 
ia64root_check mkl60 configure_xeon posinp mpputil fujitsu-ssl2 modelopt 
patcher_printf molden_orbital_normalization dft_orbital_hi enest_dummy 
mxm_fujitsu fujitsu_conf nec_parse
Examining available patches ... OK (22)
22 available patches, of which 0 are not currently installed




By the way, this is the current contents of the CONFIG file:

# MOLPRO CONFIG generated at Wed Oct 27 13:33:12 EDT 2004 with version 
2002.6
#               for host hp2600, architecture unix unix-i8 unix-hp 
unix-ia64
#
#  insert additional hosts before hp2600 in above line, if desired
#
ARCHITECTURE="unix unix-i8 unix-hp unix-ia64"



# Compilers ..
CC="cc -Ae   "
FC="f90"
F90="f90"
# compiler command to be used only when linking molpro.exe .. eg mpxlf on 
IBM SP
LINKFC="f90"
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="+O2"
FOPT="+O2"
# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=200000   -DHAVE_INTTYPES_H  "
CNOPT="+O0"
COPT1="+O1"
COPT2="+O2"
FNOPT="+O0"
FOPT1="+O1"
FOPT2="+O2 +Odataprefetch"
FOPT3="+O3 +Odataprefetch"
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC="-K"
# 64-bit integers
FI64=" "
# profiling
FPROFILE="-G"
CPROFILE="-G"
# additional pre-processor flags
FTCFLAGS="blas1 blas2 blas3"
# additional directories to be compiled in mpp case
MPPDIR=""
# additional libraries and link options
LIBS="  -lm"
LINKOPT="-Wl,-N "
# non-standard location of system libraries
LIBDIR=""
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB="-L/opt/mlib/lib/hpux64 -lveclib8"
# 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=""
MPIGM_FORMAT="0"
USE_GIO="0"
# files in src/ to be compiled without optimization
F77VERSION="HP F90 v2.8"
NO_OPT=" "
F_OPT1=" "
F_OPT2=" "
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-HP-UX-i8-2002.6"
INSTHTML="/home/garold/public_html/molpro/molpro2002.6"
INSTCGI="/home/garold/public_html/molpro/molpro2002.6"
# makedepend configuration
MAKEDEPEND_OPTIONS="-u"
MODULE_SUFFIX="mod"
# non-default libraries



Thank you for your time and assistance,
Garold Murdachaew





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