Consistent temperature increase in CUDA runs

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Fri Feb 24 2012 - 00:51:38 CST

Hi experts,

 

we got a little issue here. We use NAMD on CPU and GPU with the amber FF.
The systems run fine on CPU, but come with a consistent increase in
temperature when running on GPUs. Is that a known problem. What to do about
it. The rise is ca. 25K over 40 ns, so long simulations cannot be done
without many rescales.

 

Any ideas?

 

PS: The system does not contain fixed atoms.

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