[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
http://www.molpro.net/supported/
they list
Fujitsu PRIMERGY
GA-MPI
Intel 13.1.1
Intel Xeon E5; InfiniBand; MKL
Fujitsu Laboratories of Europe
Linux; x86_64
GA-MPI
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.
Daisuke
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