[molpro-user] Building projectors over occ/virt orbital spaces with MATROP

[Seth Olsen]

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Hi Molpro-Users,

I'm still trying to implement the IVO-CASCI scheme in Molpro (a la Potts 
et al. JCP 144 2592-2600 (2001)) using MATROP to build the virtual 
orbitals via diagonalization of an N-1 electron Fock operator in the 
virtual orbital space.  Attached please find an input file which 
implements this (somewhat inelegantly, perhaps).  The procedure involves 
calling MATROP in a DO loop over the occupied and virtual subspaces to 
build the relevant projectors.  During this process, Molpro always dies 
with a series of 'Buffer overflow gathering values from /proc/cpuinfo' 
warnings followed by an mpirun exit with error status 15.  I've googled 
mpirun error 15 but haven't yet found it.  Does anyone have an idea what 
the problem might be?

Cheers,

Seth