Espresso is a molecular dynamica package. And I do believe it supports CUDA ( But dont know how …)
I have a 8400M gs chip in my laptop. And running ubuntu 10.10.
I have killed the xwindows and installed the most recent driver for it. And installed the cuda toolkit.
Now, after recompling the whole bunch of packages, the Espresso found cuda except for a file called acconfig.h I do believe it has this file in the folder…