some bugs in LIGGGHTS

Submitted by RobertG on Fri, 05/08/2015 - 08:52

Hello,
I have discovered some bugs while using LIGGGHTS.

1. While inserting two different particles at two different areas, in the same timestep, an error will occur at some point in the simulation.
I'm using the insert/rate/region function for both. The processor grid splits at least one of the areas in two. So the display shows for the insertion of the split case, twice values from 0 to 100%.
When the error occures, only one processor shows that at the split insertionpoint the insertion is done. The other one is missing.
Work around: do the insertion at different timesteps.

2. For simulating the heattransfer, the fix heat/gran/conduction necessary. The ID of fix heat/gran/conduction defines, which particletypes are considered for the calculation of the heattransfer. Without the initial_temperature flag it does not work.
But when you are restarting your program. This command will overwrite the actual temperature values stored in the restartfile with the value at the initial_temperature. Therefore it is impossible to restart a temperature related simulation with out having wrong values for temperature.
This error wont cause LIGGGHTS to abort the simulation!!!! I have had this error with liggghts 3.07. but if i follow the releasnotes, it is not fixed yet.

I hope my descriptions can help some one to improve liggghts further.

Best regards
RobertG

AttachmentSize
Binary Data error_double_insertion.tar_.gz3.86 MB

RobertG | Sun, 05/10/2015 - 20:01

Also, the fix move/mesh crushes, if you use an period equal 1.0
Work around: use a value near 1.0, like 0.9999.

Best regards
RobertG

ckloss's picture

ckloss | Mon, 05/11/2015 - 12:49

Hi Robert,

thanks for your posts!

I am not 100% sure how to interpret your descriptions - could you post simple input scripts that can reproduce the issues you think are bugs?
I can have a look then

best wishes
Christoph

RobertG | Wed, 05/13/2015 - 11:07

Hello Christoph,
I have uploaded an example for the 1. error.
Regarding the 2.: I didn't manage to make an example which is not related to my program ...
But I will work on it and if it works, I will upload it as soon as possible.
A example for the 3. error will come soon.

I have a favour to ask. I have posted an question about the new insertion function.
>>temperature setings for fix insert/* << at the LIGGGHTS-User forum. Could you have a look?

Best regards
RobertG