How to efficiently save and resume calculation
Posted: 03 Sep 2021, 14:55
My question is related to "circumvent" time-wall of computer clusters.
If principle, we can save data before the hitting the time-wall and start a new job to continue the calculation with the data.
However, my experience is that for iDMRG, only saving the MPS (psi) is not efficient enough. Because starting a calculation only with psi seems to cost time not much shorter than that of a completely new calculation.
Should save and load "environment" mitigate the problem? Is there a relatively simple way to do that?
If principle, we can save data before the hitting the time-wall and start a new job to continue the calculation with the data.
However, my experience is that for iDMRG, only saving the MPS (psi) is not efficient enough. Because starting a calculation only with psi seems to cost time not much shorter than that of a completely new calculation.
Should save and load "environment" mitigate the problem? Is there a relatively simple way to do that?