Compiling Molpro with Intel F. Compiler ?! (fwd)
H.-J. Werner
werner at tc2.theochem.uni-stuttgart.de
Fri Nov 16 08:54:17 GMT 2001
This is not tested and not supported by us.
We use and recommend the Portland pgf90 compiler.
For P4 and athlon, we also recommend to use the atlas blas library
http://www.netlib.org/atlas
According to my experience, the prebuilt libs
atlas3.3.0_Linux_P4SSE2.tgz
atlas3.2.1_Linux_ATHLON256.tgz
work fine and are very fast. To use these, you have to specify
in configure
-L blasdir -lcblas -lf77blas -latlas
where blasdir is the directory holding the atlas lib.
H.-J. Werner
>
> Hello !
>
> Is there a possibility to compile Molpro with the Intel Fortran
> Compiler for LINUX ?
>
> We plan to use Molpro on a Pentium 4 machine.
>
> We compiled Molpro with some minor modifications in the code,
> but linking failed due to unresolved references in the license
> object.
>
> Could you help us ?
>
> Bye
> Elmar Gerwalin
>
>
> ========================================================
> Elmar Gerwalin , University of Kaiserslautern,Germany
> Dept. of Theoretical Chemistry
> http://iris2.chemie.uni-kl.de
> elg at chemie.uni-kl.de 0631-205-2749
> ========================================================
>
>
>
>
--
Prof. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart
Tel: (0049) 711 / 685 4400
Fax: (0049) 711 / 685 4442
email: werner at theochem.uni-stuttgart.de
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