Hello, I have updated NAMD to the recent one NAMD v2.14 release (CUDA version). After installing the software well, I ran a system and found poor performance. With my following PC configurations and code i have run MD simulation on windows Processor; Intel extreme series 24 threads GPU: Nvidia Geforce RTX 2080Ti 11GB RAM: Corsair 64 GB SSD: 1TB CUDA version: 11.0 Compiler: Microsoft community edition 2019 Latest Nvidia driver: YES
Command used: namd2 +idlepoll +p24+devices 0 md_run.namd While I checked my task manager, it showed only 5% CPU and 2% GPU were using. I was wondering if anyone could help me out in this dire situation.
Hey,
"+p24+devices 0 " There should be a space between +p24 and +devices 0 here, but it probably occurred while pasting here because it shouldn't have worked that way at all if you are sure about namd is running on your pc.
namd2 +idlepoll +p24 +devices 0 md_run.namd > example.log
Can you specify a log file executing like above and upload your log file please? Because it shows how many CPUs you are using and whether your GPU is active or not.
Cheers,
Ali
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