[molpro-user] installing molpro on a cray XE6 machine

Shachar Klaiman shachar.klaiman at pci.uni-heidelberg.de
Fri Jan 25 13:40:39 GMT 2013


Dear users,

Does anyone have any experience with molpro on a cray machine? I have tried
to install it and I am encountering a lot of problems.

Some of the tests fail if I use too many processors and at best I managed
to get all the tests to pass except 3 tests which fail no matter what I do.
Now when I run it, it often fails with no apparent reason and again this
depends on how many processors I use etc.

Any advice ?

Best,
Shachar
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