Hello,
we were using censo for a while, but only in the last period, we had some throttling problems during all the calculation parts.
To launch the optimisation, we use the command: censo -inp ensemble.xyz -P 4 -O 11
in the node, we do observe 44 threads running but only 11 CPUs are used. Therefore, the optimisation is slow due to the ping-pong-like effect of the CPU used.
Have you ever encountered this problem before? Can you help us resolve it?
Processors:
Intel(R) Xeon(R) CPU E5-2696 v4 @ 2.20GHz, 2 sockets, 22 core each, no hyperthreading
Intel(R) Xeon(R) Gold 5218 CPU @ 2.30GHz, 4 sockets, 16 core each, no hyperthreading
Hello, we were using censo for a while, but only in the last period, we had some throttling problems during all the calculation parts.
To launch the optimisation, we use the command:
censo -inp ensemble.xyz -P 4 -O 11in the node, we do observe 44 threads running but only 11 CPUs are used. Therefore, the optimisation is slow due to the ping-pong-like effect of the CPU used.Have you ever encountered this problem before? Can you help us resolve it?
Processors:
OS info: CentOS Stream version 8
Censo version: 1.2.0 Orca version: 5.0.3
Environment variables: export OMP_NUM_THREADS=44 export MKL_NUM_THREADS=44 ulimit -s unlimited export OMP_STACKSIZE=1G