Dear Ponnappa,
most probably using all the core in the node, you are filling all the available memory in the node.
In order to distribute memory try to parallelize on bands as much as possible as you did in X_and_IO_CPU.
You can fine-tuning the distribution moving cpus from "v" to "c", but as I can't have a look at the report file I do not know how many bands are occupied, in any
case try to balance the cpus according to the number of occupied and empty states.
Regarding the Self energy, avoid assigning cpu on "q" and assing them on "b" as much as possible e.g.
If it fails, the strategy is to use less cpus per node.
Best,
Daniele