Truecharts Foldingathome only uses one thread

[apl]

Hi,

I run Foldingathome from Truecharts, and it's only using one thread. I did get it to run one work packet with multiple threads by manually editing config.xml, but the config file tends to get overwritten all the time (by the web UI?), and even with my own config.xml, the current work packet only uses one thread. The app log says:

2023-04-01 17:16:33.889213+00:0017:16:33:WU00:FS00:0xa8:Calling: mdrun -c frame421.gro -s frame421.tpr -x frame421.xtc -cpt 15 -nt 95 -ntmpi 1
2023-04-01 17:16:33.889270+00:0017:16:33:WU00:FS00:0xa8:Steps: first=1052500000 total=1055000000
2023-04-01 17:16:33.889344+00:0017:16:33:WU00:FS00:0xa8:ERROR:95 OpenMP threads were requested. Since the non-bonded force buffer reduction is prohibitively slow with more than 64 threads, we do not allow this. Use 64 or less OpenMP threads.

but it should still run on 64 threads, right?

Thanks,

apl

 

[danb35]

Truecharts doesn't provide support here; their channels are through their website and Discord server.