Joined: 1 Jul 05
Last evening we released updated versions of the rosetta application for all three platforms. The updates include changes to, again, increase diversity in the searches. For those familiar with Rosetta, the protocol can now use larger protein fragment libraries and run more cycles. There were also minor changes to the graphics to allow rotation of the native structure.
Additionally, a bug was found and fixed by Bin, a post doc in our lab, that may have been causing the "1%" continual loop. This bug would occur very infrequently in specific circumstances. We do not know for sure yet if this is the only "1%" bug.
We also put our new work unit batch submission system into production. Unfortunately, a batch of work units using this system was not set up correctly. Work units from this batch have names starting with "DEFAULT_xxxxx_205_" where xxxxx are the protein code and chain id. 205 is the batch id.
IF YOU ARE RUNNING ONE OF THESE WORK UNITS, PLEASE ABORT IT. Batch 206 and greater are okay, and should not be aborted.
The work units in batch 205 were set up to predict 1000 structures instead of 10, so they will all reach the run time limit of 12-16 hours before finishing and will eventually error out. WE WILL GRANT CREDIT TO PEOPLE WHO HAVE RUN AND ABORTED THESE WORK UNITS.
Another problem has been identified with some new work units which is causing a 0xc0000005 UNHANDLED EXCEPTION error. This is a weird bug that appears to be dependent on the random number seed and we are currently looking into its cause. A short-term fix of using the computer clock to generate the seed (as has been done in previous runs) is in place.
In an effort to prevent errors like this in the future, we will set up a local test boinc server and do quality control after the holidays.
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