Cassandra 1.2 > Restarting Simulations
- piskuliche
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7 years 9 months ago #192
by piskuliche
Thanks Ryan -
I just noticed something else as well. For some reason - with the example provided before (the link should still work) - when I run the restart, two odd things happen.
1) The run proceeds for about 8000 steps and then crashes with an overlap error
>"Existing configuration of molecule 211 of species 1 i box 1 tripped an overlap error
I wouldn't expect this -> because the preceding simulation ran without crashing and it didn't crash immediately on running.
2) I've noticed the volume acceptance ratio hits zero in all of my simulations - and my volume no longer changes at all with my restarts. I have also seen this with a system using make_config.
I've added the Cassandra Log to show you what I am seeing.
Thanks!
Zeke
I just noticed something else as well. For some reason - with the example provided before (the link should still work) - when I run the restart, two odd things happen.
1) The run proceeds for about 8000 steps and then crashes with an overlap error
>"Existing configuration of molecule 211 of species 1 i box 1 tripped an overlap error
I wouldn't expect this -> because the preceding simulation ran without crashing and it didn't crash immediately on running.
2) I've noticed the volume acceptance ratio hits zero in all of my simulations - and my volume no longer changes at all with my restarts. I have also seen this with a system using make_config.
I've added the Cassandra Log to show you what I am seeing.
Thanks!
Zeke
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