Update GPU memory footprint estimation for shared primary context#120
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Update GPU memory footprint estimation for shared primary context#120
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This PR updates the way that the GPU memory footprint on each device is estimated during repex simulations. This is needed since both
openmmandlochuse a shared primary context on each device, meaning that the memory footprint for the first context on a device is larger than the subsequent ones. The log now reports the primary and marginal footprint.I've also updated the code to log version information for
ghostlyandloch. These will only be displayed when the appropriate configuration options are set.