[molpro-user] mxgrp too small in binput

Paul Hatton p.s.hatton at bham.ac.uk
Fri Apr 11 08:49:00 BST 2014

One of our users has the same problem as discussed at http://www.molpro.net/pipermail/molpro-user/2001-September/000299.html on Molpro 2012.1 built from source on our HPC service. That posting in 2001 said:

we are now in a position to, and intend to, engineer this restriction away, but for now you have to do what I recommend above.

Before I go ahead and rebuild Molpro, has that been engineered away yet and should we be looking elsewhere? The current value is 400; what do we base our guesstimate on for the increased value, if that is still the problem?


Paul Hatton
High Performance Computing and Visualisation Specialist
IT Services, The University of Birmingham
Ph: 0121-414-3994  Mob: 07785-977340  Skype: P.S.Hatton
[Service Manager, Birmingham Environment for Academic Research]
[    http://www.birmingham.ac.uk/bear ]
[Also Technical Director, IBM Visual and Spatial Technology Centre]

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