search

softmaterialslab / nanoconfinement-md

This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
Apache License 2.0
5 stars 13 forks source link

Changed the jobScript for optimum settings #23

Closed kadupitiya closed 6 years ago

kadupitiya commented 6 years ago

@jadhao I changed the jobScript for optimum settings

jadhao commented 6 years ago

@kadupitiya ok. I launched with the old one, as finding 16 nodes may lead to long Q time. it is in queue now (with vjadhao status can be checked). will see if output is fine.

we may want the old setting in case we want to shorten Q times. lets see..

kadupitiya commented 6 years ago

@jadhao : Yeah asking for 16 cores will take considerable waiting time, that is why I kept the node size as 4. With 4 nodes, program finishes within 20 mins.

jadhao commented 6 years ago

@kadupitiya it took 25 min launched one more with c = 0.5 to see a smoother profile and check how good is 1 million. also chose x = 1000 to get smooth temperature and energy profiles. i think we should stick with 4, 16 as n, p.

kadupitiya commented 6 years ago

@jadhao What are the input parameter you have used to get 25 min runtime?