[molpro-user] configure error for molpro 2002.6

[Benj FitzPatrick]

David,
Just a thought, but if you are using atlas, have you tried
creating a full lapack (looks like the default that comes with
your distro) as described on the atlas errata page?  Then you
could use that lapack.
Benj FitzPatrick

---- Original message ----
>Date: Thu, 30 Mar 2006 12:06:08 +0100
>From: "David Glowacki" <chmdrgl at leeds.ac.uk>  
>Subject: RE: [molpro-user] configure error for molpro 2002.6  
>To: <molpro-user at molpro.net>
>
>   Hello Molpro users,
>
>    
>
>   We are trying to run the ./configure script for
>   putting serial molpro on the master node of our
>   Beowulf cluster (2 intel 32 bit xeon processors per
>   node).
>
>   We have Red Hat Linux 3.2.2-5, and we are using the
>   ifc v 8.0 fortran compiler. 
>
>   With the advice given me by Nick Wilson, I can now
>   run the configure script.  Thanks for that.  
>
>   However, when I run the configure script, it at no
>   point gives me a prompt to ask whether I wish to use
>   system blas libraries or not- instead immediately
>   searching for the system blas libraries, as follows:
>
>    
>
>   $ ./configure -k token.txt -ifc
>
>    
>
>   Building program for processor type=p4
>
>   Program may not run on amd64/athlon/p3 systems
>
>   You can choose another processor type using the
>   amd64|athlon|p3 options
>
>    
>
>   Machine architecture is unix unix-i4 unix-linux
>
>    
>
>   File size greater than 2GB allowed
>
>    
>
>   Using Intel Fortran compiler (ifc for ia32) version
>   8
>
>    
>
>   searching for blas libraries...
>
>   found blaslib   -L/usr/lib -lblas
>   -Wl,-rpath,/usr/lib
>
>   found blaslib   -L/usr/lib -lcblas -lf77blas -latlas
>   -Wl,-rpath,/usr/lib
>
>    
>
>   blaslibold=-L/usr/lib -lcblas -lf77blas -latlas
>   -Wl,-rpath,/usr/lib
>
>   plese select blas library from above list
>
>   (default -L/usr/lib -lcblas -lf77blas -latlas
>   -Wl,-rpath,/usr/lib ):
>
>    
>
>   lib=/usr/lib
>
>    
>
>   searching for atlas lapack library...
>
>   found lapacklib -L/usr/lib -llapack
>   -Wl,-rpath,/usr/lib
>
>    
>
>   plese select lapack library from above list
>
>   (default -L/usr/lib -llapack -Wl,-rpath,/usr/lib ):
>
>    
>
>               Object library exists
>
>   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) of BLAS to be supplied by the
>   system
>
>   (default 3):
>
>              
>
>    
>
>    
>
>   if I accept the defaults, then I get the following
>   error after lots of compiling steps when I run the
>   gmake.  I should note that this error is the same
>   whether or not I choose `0' or `3' for the level of
>   BLAS to be supplied to the system:
>
>    
>
>   molver.f: compiling ... done
>
>   linking
>  
/home/mjp/chmdrgl/molpro/molpro2002.6/bin/molpros_2002_6_i4_p4.exe
>
>   link failed
>
>   /opt/intel/compiler80/ia32/bin/ifc -pc 64 -auto
>   -autodouble -Vaxlib -Wl,-rpath,/usr/lib
>   -Wl,-rpath,/usr/lib -w -O3
>   -Wl,-rpath,/opt/intel/compiler80/ia32/lib -o
>  
/home/mjp/chmdrgl/molpro/molpro2002.6/bin/molpros_2002_6_i4_p4.exe
>   molver.o molpro.o
>   -L/home/mjp/chmdrgl/molpro/molpro2002.6/lib -lmolpro
>   -lgks0 -L/usr/lib -llapack -L/usr/lib -lcblas
>   -lf77blas -latlas -lz
>
>   ifc: warning: The Intel Fortran driver is now named
>   ifort.  You can suppress this message with '-quiet'
>
>   /usr/bin/ld: cannot find -lcblas
>
>   gmake: *** [bin/molpros_2002_6_i4_p4.exe] Error 1
>
>    
>
>   so it seems like the standard molpro blas libraries
>   cant be identified.  So I tried 3 different things:
>
>   (1) I went to www.molpro.net/blaslibs in order to
>   download the mkl_prod-5[1].1-2.tar file, and I
>   unpacked it in the blaslib directory
>
>   (2) I went to the atlas page and unpacked the
>   atlas3.6.0_Linux_P4SSE2.tgz in the blaslib
>   directory. 
>
>   In both cases (1) and (2), i still get the same
>   configure prompt sequence, and the same gmake error-
>   so it seems like the configure script cant see these
>   libraries. 
>
>   (3) I tried the command `wget --cut-dirs=1 -nH -np
>   -r http://www.molpro.net/blaslibs' as instructed by
>   the installation manual, and I get a message telling
>   me that authorization failed- despite the fact that
>   I am able to download patches from the molpro site
>   without a problem.
>
>    
>
>   Any advice that anyone would have for circumventing
>   this problem would (again) be very much appreciated.
>
>    
>
>   Thanks very much,
>
>   dave glowacki