Hi,
I am running MD simulations using CUDA accelerated NAMD engine on a AMD/GeForce CPU/GPU combination.
The calculations keep crashing for different reasons and in a very random way. In some cases the same calculation runs smoothly and in some others I am obliged to re-start it several times.
Does someone have any suggestion how to solve or at least understand what's the problem? I tried to look into NAMD forums for each error but they do non of the discussions apply to my case.
Thanks for the help!