Posts by Nick Name

1) Message boards : Number crunching : Rosetta 4.1+ and 4.2+ (Message 95147)
Posted 22 Apr 2020 by Nick Name
The size has been set incorrectly. I have some with the same thing on Windows 10 that ended with a computation error.

Rosetta@home 4/22/2020 1:51:16 PM Computation for task Mini_Protein_binds_IL6R_COVID-19_1bqu_1_SAVE_ALL_OUT_IGNORE_THE_REST_5wl5hq6z_924127_1_0 finished
Rosetta@home 4/22/2020 1:51:16 PM Output file Mini_Protein_binds_IL6R_COVID-19_1bqu_1_SAVE_ALL_OUT_IGNORE_THE_REST_5wl5hq6z_924127_1_0_r251659771_0 for task Mini_Protein_binds_IL6R_COVID-19_1bqu_1_SAVE_ALL_OUT_IGNORE_THE_REST_5wl5hq6z_924127_1_0 exceeds size limit.
Rosetta@home 4/22/2020 1:51:16 PM File size: 100258133.000000 bytes. Limit: 100000000.000000 bytes

These should be canceled server-side and reissued when fixed.
2) Message boards : Number crunching : Rosetta and POWER8/9 CPUs (Message 92091)
Posted 19 Mar 2020 by Nick Name
Current apps are listed here.
3) Message boards : Number crunching : Huge RAM usage by some of latest WUs (Message 91702)
Posted 14 Feb 2020 by Nick Name
These are likely jobs that are modeling the Spike complex ( of 2019-nCoV_S, the corona virus. The genome has been sequenced and there is a mad rush to determine structures for possible drug targets.

We are collaborating with a number of different research groups to model corona virus proteins that may be possible drug targets, including the NIH/NAIAD and SSGCID

This is exciting, but these types of jobs should be accompanied by a News notice so that users aren't surprised. I'd also suggest they be put in a special category in project preferences requiring users to explicitly allow tasks this large. Most users are not going to be able to run these without problems.

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