Monthly Archives: February 2011
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 … Continue reading
Molecular Dynamics Proteins are important and their structure complex. And then they move. The way they move determines how organisms work … or fail. The shape of the protein determines its function so motion means its shape is in flux … Continue reading
I recently set up CampusFactory on NCSA Lincoln to flock jobs from the new Engage submit node. The CampusFactory is a Condor job submitted to a personal condor instance. The job executes the Factory which is implemented as a Python … Continue reading
PMEMD for OSG is live. Gratia statistics for January: All runs are 8-way parallel MPI jobs so we get eight hours of CPU time per hour of wall time.