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[ESPResSo-users] Saving and loading warmup checkpoints
From: |
Evyatar Arad |
Subject: |
[ESPResSo-users] Saving and loading warmup checkpoints |
Date: |
Sun, 12 Jul 2015 14:02:24 +0300 |
Hello everyone,
After the implementation of the new integrator, I’m now in the testing phase
and could use some assistance in saving and loading of checkpoints.
I’ve noticed there are two phases for a system warmup:
1) The first warmup, with a default 20 times of 100 steps and
warm_time_step, a smaller dt.
2) The second warmup where force cap starts at 1000 and while using the
main_time_step as dt.
I would like to be able to reload a configuration from the end of either of the
two phases, and continue the warmup\simulation with varying time step
parameters for inspection.
If I try using the file ./simplebilayer//simplebilayer.0000.gz as a
checkpoint to load by changing it’s name to checkpoint.latest.gz and re-running
with simplebilayer.top still in folder, Espresso produces the following output
without running the sim:
:: > loaded version 1.0.0 of analysis
:: > loaded version 1.3.3 of cmdline
:: > loaded version 1.0.0 of system_generation
:: > using paramsfile: simplebilayer.tcl
:: > loading parameter file .. done
::mbtools::utils > reading Checkpoint ./simplebilayer//checkpoint.latest.gz
::mbtools::utils > initializing vmd to : offline
::mbtools::analysis > setting up analysis
:: >
finished
Thanks in advance for your help,
Evyatar
- [ESPResSo-users] Saving and loading warmup checkpoints,
Evyatar Arad <=