[molpro-user] Question on the molpro binaries at the Molpro web-site

Andy May MayAJ1 at cardiff.ac.uk
Thu Apr 10 18:01:13 BST 2014


The BLAS is MKL; the Fortran compiler is generally the latest version of 
ifort, and the C/C++ compiler is the version of GNU shipping with the 
latest openSUSE.

The options are:

./configure -batch -ifort -gcc -blaspath /opt/intel/mkl/lib/intel64

for serial, and additionally '-mpp -auto-ga-mpich' for parallel. There 
is then some post configure hacking of CONFIG to force static linking.

Best wishes,


On 10/04/14 16:09, Evgeniy Gromov wrote:
> Dear Developers of Molpro,
> I'd like to ask some information about the binaries of molpro
> available at the Molpro web-site. I wonder, in particular, what
> compiler and BLAS library were used. I would appreciate
> very much to learn the configure options (i.e. CONFIGURE_OPTIONS="...",
> which can be found in the beginning of the CONFIG file), which were used
> for the compilation.
> Many thanks!
> Best regards,
> Evgeniy

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