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
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
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