Re: Cell-wall interaction using object-in-fluid with espresso 4.1.3

[Ivan Cimrak]

Hello, 

I can not see the code right now but try to move the lines for lbfluid after you define cell-wall interactions.... 

Ivan

On July 22, 2020 03:37:42 Pouyan Keshavarz <pouyan.keshavarz@uwaterloo.ca> wrote:

Dear all,

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.
Traceback (most recent call last):
  File "test11.py", line 108, in <module>
    system.integrator.run(steps=100)
  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."

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.

Thanks in advanced.

Kind regards

Pouyan