[gmx-users] Scaling/performance on Gromacs 4

Dear GROMACS users My group has had access to a quad processor, 64 core machine (4 x Opteron 6274 @ 2.2 GHz with 16 cores) and I made some performance tests, using the following specifications: System size: 299787 atoms Number of MD steps: 1500 Electrostatics treatment: PME Gromacs version: 4.0.4

Re: [gmx-users] Using MPI gromacs with CONDOR

Hi Arthur, In our group we do use Gromacs, MPI and Condor. I will leave you some tips of how to use it but if you still have some doubts you can contact me off the list. Sara Campos Submission script: Universe = parallel Executable = exec.sh # 2 processors will be used