limit CPU threads

[Gracklewolf]

Is there a method within RhoFold to limit CPU threads. As is, it seems to use all cpu resources available on whatever server it runs on. Makes it difficult to use in an HPC cluster.

[WangJiuming]

Hi @Gracklewolf,

Thanks a lot for this feature request!

You can control CPU thread usage more precisely by setting a few environment variables before running the inference script. For example:

export MKL_NUM_THREADS=4
export OPENBLAS_NUM_THREADS=4
export NUMEXPR_NUM_THREADS=4
export OPENMM_CPU_THREADS=4

taskset -c 0-3 python inference.py ...

The first four lines limit the number of threads used by different libraries, while the taskset -c 0-3 command restricts the process to run on specific CPU cores. You can adjust the values as needed for your system and workload.

Feel free to let us know if there is any follow-up question.