Our first researcher using Amber PMEMD on the OSG reports molecular dynamics are four to eight times faster on the OSG than with the infrastructure she had access to previously.
That’s for the all CPU version, i.e. without the Nvidia GPGPU support in Amber11.
Here’s a machine’s rendering of the section of chromosome 5 she’s studying: Dihydrofolate Reductase (DHFR):
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