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Describe the bug
When I try to run the DetailedPatchySwapInteraction in contrib/rovigatti with the attached files, the following occurs
(base) josh@Josh-Laptop:~/pypatchy_test/staged_big_octohedron_2024-08-28/T_0.01$ ~/git/oxDNA/build/bin/oxDNA input
INFO: seeding the RNG with 916930336
INFO: Initializing backend
INFO: Simulation type: MD
INFO: The generator will try to take into account bonded interactions by choosing distances between bonded neighbours no larger than 2.000000
INFO: Parsing JSON observable file observables.json
INFO: Observable file parsed
INFO: Setting the maximum IO limit to 5 MB/s
INFO: pid: 44378
INFO: DPS: Custom patches will be normalised
INFO: FS parameters: lambda = 1.000000, A_part = 14.778112, B_part = 0.000023
INFO: DetailedPatchySwapInteraction: species 0 has 1 particles and 24 patches
INFO: DetailedPatchySwapInteraction: species 1 has 6 particles and 24 patches
INFO: DetailedPatchySwapInteraction: species 2 has 0 particles and 24 patches
INFO: DetailedPatchySwapInteraction: species 3 has 0 particles and 24 patches
INFO: DetailedPatchySwapInteraction: species 4 has 0 particles and 4 patches
INFO: DetailedPatchySwapInteraction: species 5 has 12 particles and 24 patches
INFO: DetailedPatchySwapInteraction: species 6 has 0 particles and 24 patches
INFO: DetailedPatchySwapInteraction: species 7 has 0 particles and 8 patches
INFO: DetailedPatchySwapInteraction: species 8 has 8 particles and 24 patches
INFO: DetailedPatchySwapInteraction: species 9 has 0 particles and 12 patches
free(): invalid pointer
INFO: # Caught SIGNAL 6; setting stop = 1
Aborted (core dumped)
To Reproduce
Steps to reproduce the behavior:
Unzip the attached files in a folder.
Edit input file to update plugin_search_path to your local oxDNA/contrib/rovigatti
Run in terminal oxDNA input
if the line observables_file = observables.json is removed from the input file, oxDNA runs as expected.
Expected behavior
DetailedPatchySwapInteraction and PatchyBonds observable should function as expected.
I have previously run simulations with the same observables.json file so the problem is clearly the combination of the observable and this specific conf.
The starting conf rapidly explodes when I ran the simulation without observables.json, however an explodey conf should not cause a free(): invalid pointer error.
Desktop (please complete the following information):
Describe the bug
When I try to run the DetailedPatchySwapInteraction in contrib/rovigatti with the attached files, the following occurs
To Reproduce
Steps to reproduce the behavior:
Unzip the attached files in a folder.
Edit
input
file to updateplugin_search_path
to your localoxDNA/contrib/rovigatti
Run in terminal
oxDNA input
if the line
observables_file = observables.json
is removed from the input file, oxDNA runs as expected.Expected behavior
DetailedPatchySwapInteraction and PatchyBonds observable should function as expected.
I have previously run simulations with the same
observables.json
file so the problem is clearly the combination of the observable and this specific conf.The starting conf rapidly explodes when I ran the simulation without observables.json, however an explodey conf should not cause a
free(): invalid pointer
error.Desktop (please complete the following information):
Additional context
Add any other context about the problem here.
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