While running a membrane simulation with tabulated potential for a cosine/squared potential. The script will run locally on CPU, but on a GPU node the process exits with an Error computing cell list (particle no longer in simulation box).
This system runs to completion with a LJ-potential in stead of a table potential on GPU (albeit not with 'chemical' stability). I run into the same GPU issues with the cosine/squared as a table potential on the molecular dynamics tutorial.
Another issue I have run into is when formulating a zeropotential for the table (V=F=np.array(n*[0])
) a cudaErrorIllegalAddress occurs on GPU. This too will run on CPU. This zero potential is quite important when using multiple types of potentials between pairs.
Description
While running a membrane simulation with tabulated potential for a cosine/squared potential. The script will run locally on CPU, but on a GPU node the process exits with an Error computing cell list (particle no longer in simulation box).
This system runs to completion with a LJ-potential in stead of a table potential on GPU (albeit not with 'chemical' stability). I run into the same GPU issues with the cosine/squared as a table potential on the molecular dynamics tutorial.
Another issue I have run into is when formulating a zeropotential for the table (V=F=np.array(n*[0]) ) a cudaErrorIllegalAddress occurs on GPU. This too will run on CPU. This zero potential is quite important when using multiple types of potentials between pairs.
Script
Included files at groups:
Output
In included files.
Expected output
Stable simulation run. Can provide a trajectory ran on CPU if necessary.
Configuration
OS: Debian 10 GPU: GTX1080ti HOOMD version: 3.0.0dev8 Build: conda gpu_py39hc6c7ca5_0 Python version: 3.9.6
Developer