Have you tried the mdrun options:
-pme cpu -nb gpu
-pme cpu -nb cpu
On 2018-03-02 07:55, Mahmood Naderan wrote:
If you mean , then yes I read that and that recommends to use Verlet for the
new algorithm depicted in figures. At least that is my understanding about
offloading. If I read the wrong document or you mean there is also some other
options, please let me know.
On Thursday, March 1, 2018, 6:35:46 PM GMT+3:30, Szilárd Páll
Have you read the "Types of GPU tasks" section of the user guide?
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