[gmx-users] simulation uses only graphics card. None of the processor cores appears participated in simulation

[Adarsh V. K.]

Dear Gromacs users,

I installed CUDA tool kit 7.5 on Ubuntu 16.04. The PC is provided with an
ASUS Graphics card, GTX 780Ti.

While performing simulations the Gromacs uses only the graphics card. It
appears that none of the processor cores are used for simulation (8 core
AMD FX 8350).
The simulation completed in 30 minutes.

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I changed the graphics card to ASUS GT 710. Again the result is same. The
simulation uses only graphics card. None of the processor cores
participated simulation. The simulation completed in 3 hours.

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I tried simulation with out any supported graphics card. Simulation
performed with  Processor core only. (8 core AMD FX 8350). The simulation
completed in 1 hour 50 minutes.
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1) How can I solve this problem?


Adarsh V. K.
Research Scholar (PhD)
National Institute of Technology
Calicut, Kerala
India