Index  | Recent Threads  | Unanswered Threads  | Who's Active  | Guidelines  | Search
 

Quick Go ยป
No member browsing this thread
Thread Status: Active
Total posts in this thread: 8
[ Jump to Last Post ]
Post new Thread
Author
Previous Thread This topic has been viewed 10266 times and has 7 replies Next Thread
uplinger
Former World Community Grid Tech
Joined: May 23, 2005
Post Count: 3952
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
OpenPandemics - COVID 19 Beta Test April 20, 2020

Greetings,

We are starting a new beta test that will be version 7.08 for Autodock. This is the new project that was announced here: https://www.worldcommunitygrid.org/forums/wcg/viewthread_thread,42232

The initial group of work units will range in size from 3 minutes to 6 hours. We will be sending out 2 copies of every work unit to help check the validator works against the answers. Each work unit should check point 49 times. Please test the check points out.

Also, we are not hiding the screen saver graphics, so you may catch a glimpse of what it will look like.

Thanks,
-Uplinger
[Apr 21, 2020 1:44:27 AM]   Link   Report threatening or abusive post: please login first  Go to top 
uplinger
Former World Community Grid Tech
Joined: May 23, 2005
Post Count: 3952
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: OpenPandemics - COVID 19 Beta Test April 20, 2020

Good evening,

I was able to start the validator for OPN1 and noticed a few things that require investigation. We were hoping to add more results to this beta test, however that is on hold while we look into an invalid issue.

As many have noticed, we have Android running on this current beta test. This is the first time AutoDock has been compiled for Android and we are hoping to get data points on it for this current beta. We are doing this in parallel in hopes of launching it with the other operating systems. With that said, Android is a nice to have for launch and may not be included in the launch if there are major issues found during beta testing. The work units build manually were not sized for Android and some could take over 24 hours to run.

The other thing I would like to release in this beta is AutoDock on Linux for arm. We are testing it on beta similarly to Android and production release may not happen with launch of the other operating systems.

Thanks,
-Uplinger
[Apr 23, 2020 2:29:28 AM]   Link   Report threatening or abusive post: please login first  Go to top 
uplinger
Former World Community Grid Tech
Joined: May 23, 2005
Post Count: 3952
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: OpenPandemics - COVID 19 Beta Test April 20, 2020

Good evening,

We have an updated version of the application that needs to be tested. It has fixes for checkpointing, log messages and increasing atom types. This may cause the application to use more memory. Please feel free to post your memory usage as well as restarting the application. The start of this beta will be small but I plan on adding over 7000 in this phase.

Thanks,
-Uplinger
[Apr 23, 2020 11:56:55 PM]   Link   Report threatening or abusive post: please login first  Go to top 
uplinger
Former World Community Grid Tech
Joined: May 23, 2005
Post Count: 3952
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: OpenPandemics - COVID 19 Beta Test April 20, 2020

Good evening,

We have updated the version to 7.10. This has a minor check pointing issue that was discovered with 7.09. It is a minor change. The new work units are OPN1_9999996 and OPN1_9999997. These have some estimated sizing. There are only 500 at the moment being run on this first set of tests.

Thanks,
-Uplinger
[Apr 29, 2020 2:47:56 AM]   Link   Report threatening or abusive post: please login first  Go to top 
uplinger
Former World Community Grid Tech
Joined: May 23, 2005
Post Count: 3952
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: OpenPandemics - COVID 19 Beta Test April 20, 2020

Good afternoon,

We have updated the version to 7.11. This has two changes.

1. A fix for check pointing that was identified by results not validating with multiple ligands.
2. Increased precision for results.

Thanks,
-Uplinger
[Apr 30, 2020 5:58:11 PM]   Link   Report threatening or abusive post: please login first  Go to top 
uplinger
Former World Community Grid Tech
Joined: May 23, 2005
Post Count: 3952
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: OpenPandemics - COVID 19 Beta Test April 20, 2020

Good morning,

We have received batches from the researchers built with their automation. We are testing these on Alpha at the moment. We are also testing a new method for splitting up work units that will get the average runtimes per work unit to be more consistent. Once we these are operating well on Alpha we will promote them to Beta which should consist of a larger number of ligand variations.

Thanks,
-Uplinger
[May 2, 2020 3:29:46 PM]   Link   Report threatening or abusive post: please login first  Go to top 
uplinger
Former World Community Grid Tech
Joined: May 23, 2005
Post Count: 3952
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: OpenPandemics - COVID 19 Beta Test April 20, 2020

Good afternoon,

We are starting a large round of beta test for work units generated by the researchers. This test includes:

fixes for work unit generation
better smoothing of the averages during the build process
fixes to the science application calculations

This test will have around 40k work units (80k results) running version 7.15 of the science application.

Thanks,
-Uplinger
[May 6, 2020 8:15:29 PM]   Link   Report threatening or abusive post: please login first  Go to top 
uplinger
Former World Community Grid Tech
Joined: May 23, 2005
Post Count: 3952
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: OpenPandemics - COVID 19 Beta Test April 20, 2020

Good evening,

We are doing another round of work units and application.

Version 7.17 is the latest version. It has more precision to the output file as well as a fix for Linux 64 graphics. We will be testing two batches that were created with the fix for 0 dockings in a dpf.

Thanks,
-Uplinger
[May 8, 2020 4:24:46 AM]   Link   Report threatening or abusive post: please login first  Go to top 
[ Jump to Last Post ]
Post new Thread