TCE restart on BlueGene/Q


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Forum Vet
Dear Dr. Edoapra
 Your input does produce results with surely negligible differences using 
NWCHEM6.8 both on Ubuntu17.10, repeated for three times, and macOS
High Sierra 10.13.2 .
 
I have not employed your patch.
I have already put the log files on your GitHub topic.

Previously, I misread the correction energy for correlation energy,
caused by the busyness and carelessness.
Sorry for that.

It is clearly stated on the NWCHEM6.6 manual that "The only platform for which
restart may cause I/O problems is BlueGene, due to ratio of compute to I/O nodes
(64 on BlueGene/P)".

 Very Best Regards!