Dear All,
Would like to ask for your help withe a question related to the performance of NAMD 2.14b1 (NAMD_2.14b1_Win64-multicore-CUDA package) on Windows 10, which is run on a single Intel® Core™ i9-9900K Processor (16 threads) equipped with GPU NVIDIA Quadro RTX 4000 (Driver version 26.21.14.4292) [R440 U8 (442.92)]. CUDA Toolkit v10.2.89.
I launch NAMD with the command ./namd2 +p16 +setcpuaffinity , but I only get a very small usage of both CPU (~ 12%) and GPU (~15%).
It seems that +p16 parameter has no effect (I can change it to any number without any effect on the performance).
Would greatly appreciate your help,
Best regards,