[molpro-user] Nga_create_irreg_array being called incorrectly in molpro
wangm9 at Cardiff.ac.uk
Mon Jul 28 09:15:51 BST 2008
This has been fixed in development version, and it should work in
new version which will be released very soon.
Glaesemann, Kurt R (Kort) wrote:
> Greetings fellow users,
> I have found that as I increased from 8 to 16 cpus some of the examples
> failed to work anymore. For example h2o_eom did not work. It is a cluster
> of 4 cores per node. Version 2006.1 Patch level: 154
> The problem is that nga_create_irreg_array is being called with a length of
> zero for one element of the length array.
> This is because ipair(4,*) maps 1 to 1, 2 to 3, 3 to 4, etc. and thus 2 is
> left zero.
> do ip=1,npp
> isy=ipair(4,ip) <--- This line
> Is there a patch for this, or is this just a problem with trying to over
> scale a problem?
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