[molpro-user] Compiling MOLPRO

Daisuke Minakata dminakat at mtu.edu
Wed Nov 27 21:34:48 GMT 2013

Hi there,

We had some issue upon compiling MOLPRO on our HPC system.  I would
appreciate any comments or helps.

As with compiling MOLPRO from source, I ran into significant issues at the
'make' stage. Given that each compilation attempt takes several hours, it
will be a while before we can successfully compile it. However, I do see in
the list of supported platforms


they list

  Fujitsu PRIMERGY
  Intel 13.1.1
  Intel Xeon E5; InfiniBand; MKL
  Fujitsu Laboratories of Europe

  Linux; x86_64
  Intel 14.0.1
  Molpro Cardiff

These infrastructures are quite similar to our HPC.
Could anyone share the compilation notes with us?  that'd be great and
immensely speed up things on our end.

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