Hi,
Yes, one chip on the dual chip K80 GPU (as long as it's cooled well) will
be roughly as fast as a K40 with GROMACS.
Otherwise, the setup looks well-balanced, it should give good performance
with GROMACS! Note that you can save money on:
- SSD which is not necessary for GROMACS production
Hi gromacs users,
Our lab decides to buy some exclusive computational resources for MD
using gromacs. The HPC center in our university offers 2 options. I
guess some of you are using K80 GPU right now so I'd like to hear your
suggestions/experiences about it.
option 1 (Tesla K40):
* Dual Intel
