[molpro-user] SGI IRIX blas and lapack libraries

[Nick Wilson]

Dear Lisa,

There should be support for SCS on IRIX in configure but I haven't
personally tested it so it might not currently be working correctly.

To compile molpro in parallel using SCS blas you should have the
following settings in CONFIG:

FTCFLAGS="mpp eaf lapack blas1 blas2 blas3"
BLASLIB="-lscs_i8"
LAPACKLIB=""

You might possibly need BLASLIB="-L/usr/lib64 -lscs_i8" but in the first
instance I'd see if the compiler makes the correct choice automatically.

Best wishes,
Nick Wilson

Lisa M. Perez wrote:
> I am currently compiling molpro 2002.6 on a variety of machines and had
> some questions about which libraries to use and how to specify them. I
> would like to use the 64 bit 8 integer blas and lapack libraries (SCSL)
> but I'm not sure if I am specifying them properly.
> 
> For our SGI R14000, IRIX 6.5 machines:
> 
> We will be using the tcgmsg from GA as suggested by the molpro
> installation manual.  To compile GA I used the following settings:
> 
> TARGET=SGITFP TARGET_CPU=R14000 LARGE_FILES=yes
> BLAS_LIB=-L/usr/lib/libblas.a NATIVE_BLAS=no
> 
> For molpro I used:
> 
> configure -mpp -i8
> 
> I then went into the CONFIG file and changed the LAPACKLIB line from
> 
> LAPACKLIB=""
> 
> to
> 
> LAPACKLIB="-lscs_i8"
> 
> but this gave me errors in the test jobs so, I recompiled without
> modifying the LAPACKLIB line and the quicktest jobs ran fine.
> 
> My main questions are:
> 
> 1) The blas libraries are found in /usr/lib and /usr/lib64 and it is my
> understanding the -lblas will access the /usr/lib blas libraries and
> -lscs_i8 will use the /usr/lib64 blas libraries.  Should't I be accessing
> the lib64 version?
> 
> 2) Why is there not a question about the lapack libraries in the
> configuration script?  Should I be setting the LAPACKLIB to something
> (-lscs_i8 gave errors in some of the quicktest jobs)?
> 
> 3) Did I compile GA with the correct libraries?
> 
> Once I get the program compiled for IRIX, I will probably have more
> questions for the Altix, IBM, MacOS X and Linux machines :)
> 
> Anyones help/info would be greatly appreciated!
> 
> Sincerely,
> 
> Lisa
> 
> ------------------------------------------------------------
> Lisa M. P�rez, Ph.D.
> 
> Manager, Laboratory for Molecular Simulation
> 
> http://www.chem.tamu.edu/LMS/
> 
> Texas A&M University               mouse at mail.chem.tamu.edu
> Dept. of Chemistry                 Chemistry Bldg. RM. 2109
> P.O. Box 30012                        office (979) 845-9384
> College Station, TX 77842-3012           fax (979) 845-2971
> ------------------------------------------------------------
> 
>