In-situ or "streaming" visualization?

[mmarchywka]

( the old forum said to bring "general discussion" topics here so I'm posting this here ).

I was re-installing jdftx after not using it for many years. IIRC, in the past, I could
monitor the output such as ion positions as it was generated rather than accumulating
output until the end of a run. However, it does not appear this capability exists in the
tools supported here. I probably converted the output to a pdb or other file as each
iteration was output but I'm still digging through my old code. This "real time" or streaming
support does not seem to be normal but apparently it is called in-situ visualization.
FreeFEM has a simple form of this and some viewer, see paraview thread below, have
means to accommodate it. The package described below also allows "streering" or
user input back to the code, jdftx , to modifcy simulation parameters on the fly.

https://discourse.paraview.org/t/does-or-can-paraview-support-streaming-input/13637/7

This generally is a lot more informative than viewing once everything is done curious what
people do or would use in this regard. Thanks.

[shankar1729]

Hi Mike,

The createXSF script with the animated option should output all ionic coordinates up to the current point. You'd just need to run it on the in-process log. Is there something beyond that which is needed to visualize on the fly?

Best,
Shankar