We are testing another version of the application. With success, which takes a few days to determine, we are hopeful to have the updated version released soon. If/when that happens, there will be a more constant stream of work available for OET1 since flexible work units take longer to process and we have plenty of them available.

Thanks,
-Uplinger

Siedentopf,

to contribute in beta testing, you'll need to register that you want to participate. To do so, go to this page here https://secure.worldcommunitygrid.org/ms/device/viewBetaProfiles.do it is accessible from My Contribution page.

As for flexible verse rigid, the differences are this:
Rigid, the molecule does not bend at all during the calculations thus only one true target to calculate against, thus a computation for it takes about 1-5 minutes.
Flexible, the molecule bends at certain predetermined locations by the researchers, thus it can have say 100 different shapes it can take for the calculations to go over. Thus a single job takes closer to 2-3 hours.

Previously the application was designed to checkpoint(autosave) between jobs so every 1-5 minutes. But that wouldn't work too well for flexible having a checkpoint every 2-3 hours. So we have broken down the jobs even furthur for for places to safely checkpoint. It isn't perfect, but if a job has an exhaustiveness of 8 (which is what we are planning on using), then it'll check point 7 times during the course of the workunit. On rigid we were able to stuff say 100 jobs in a 2 hour work unit, now we are just putting 1 job in a 2-3 hour work unit. So checkpointing won't be very close together but every 20-30 minutes is bettern than none over the course of the whole work unit.

As for my rigs, I have about 250 cores that are not mine, they are my test machines for work. They do most of the alpha testing, and for me maintaining them, I get to use them to pad my stats on production. I accidentally left them on OET1 over the xmas break and thus was probably sucking up work that other members were trying to grab. I have disabled OET1 for now until it is more available with flexible work units.

Thanks,
-Uplinger

we will have both in the same queue, but it'll only be on vina, we will not be running on the autodock application for this project. But since flexible runs so much longer, i would estimate that flexible will be more like 95% of the runtime for this project. (DON'T HOLD ME TO THAT ESTIMATE!!!!)

Thanks,
-Uplinger

I do not know the ratio of flexible to rigid workunits. With rigid we were able to put 50-100 jobs in a single work unit. With flexible we will be limiting that to 1 since they are so complicated. If we did the exact same number of jobs, then the ration would be close to 75:1 with there being 75 flexible ones for every one rigid ones. But I think there will be more flexible jobs in general than rigid ones, so I would estimate it would be closer to 200:1, but again, complete estimates as we don't have all the work units up front. They could decide that rigid is the way to go later in the project, and the ratio may change. Or they may decide rigid doesn't provide enough information and abandon them all together, this is something I don't know and will be determined by the researchers. But in the near future, we will have a better stream atleast to allow the feeder to keep results flowing the entire day instead of limiting it.

Thanks,
-Uplinger

Keith and I'm assuming AKA -Uplinger

Thanks. I'm set up for Beat just not getting any. Everything else was spot on and I'm glad they are looking at all cases/permutations/different folds in the proteins.

Robert (wish I had 250 cores and didn't have to pay the bill to run must be nice)