|Subject:||Re: Cell-wall interaction using object-in-fluid with espresso 4.1.3|
|Date:||Wed, 22 Jul 2020 13:49:52 +0000|
Thanks Ivan. I changed the line and it works but something more strange came up.
I noticed that the results have drastic differences in new version of espresso (version 4.3.1) with the version 4.0.0. I added two screenshot related to my simulations here. The first one (#1) was performed with 4.0.0 and the second one (#2) was performed with 4.1.3. The second simulation is the same as the first one, except for the second one I add system.thermostat.set_lb(Lb_fluid=lbf, gamma=friction). Did anybody face this before and have a solution for this?
On July 22, 2020 03:37:42 Pouyan Keshavarz <firstname.lastname@example.org> wrote:
I have problem in modelling cell-wall interaction with the use of OIF module in espresso 4.1.3 and will be grateful if anybody can help me. More specifically, I face the error below whenever I try to run my code.
"ERROR: The CPU LB does not currently support handling changes of the MD cell geometry. Setup the cell system, skin and interactions before activating the CPU LB.It is worth mentioning that when I removed the line related to cell-wall interaction the simulation ran correctly. Also I have been attached the code I used, here.
Traceback (most recent call last):
File "test11.py", line 108, in <module>
File "integrate.pyx", line 104, in espressomd.integrate.Integrator.run
File "utils.pyx", line 265, in espressomd.utils.handle_errors
Exception: Encountered errors during integrate: ERROR: The CPU LB does not currently support handling changes of the MD cell geometry. Setup the cell system, skin and interactions before activating the CPU LB."
Thanks in advanced.
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