Dear all, I have recently bought two "EVGA GTX TITAN Superclocked" GPUs for the scientific CUDA calcualtions (MD in Amber12). I did the first calculations (on both cards) with systems around 60K atoms without any problems (NPT, Langevin), but when I later tried with bigger systems (around 100K atoms...

Hello all, I bought 2 new GPUs ( Gigabyte GeForce GTX580, 3O72MB ) and installed them into my new "bulldozer" machine: --------------------------------------------------------------- motherboard: GIGABYTE 990FXA-UD7 CPU: AMD FX-8150 Power: Enermax MODU87+ 800W Lot6 Gold OS: CentOS ------------------...