1) Message boards : Number crunching : how to get "Quantum Chemistry" tasks? (Message 47989)
Posted 5 days ago by Toni
Thanks... unfortunately that does not seem to be the problem. The installer works, it's the next step which fails and (as usual with boinc) there is no indication why.

BTW where do you find that xml?
2) Message boards : Number crunching : how to get "Quantum Chemistry" tasks? (Message 47987)
Posted 5 days ago by Toni
You need to accept beta work, and have a linux machine (for now). WUs are few and just for testing, so no credits yet. They are experimental so requirements will change in the future. The fact that they do not show up in the web summary doesn't matter.
3) Message boards : Server and website : Experimental python app (Message 47850)
Posted 45 days ago by Toni
Hi all, I'm planning to test an experimental app ("Python"). That should be CPU only, Linux only (for now). That should enable (in the future) different kinds of computations that we need e.g. for preparing systems.

Apologies in advance for any crashes...

Credits and run time should be symbolic, for now.

Thanks, as always, for your support!

4) Message boards : News : New publication: High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD (Message 47756)
Posted 73 days ago by Toni
Dears, we added badges for a recent methodological publication, High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD.

We describe a procedure to automatically set-up membrane simulations, and show it working en masse on all membrane structures published in the OPM database (hence the WU names you may have seen in the past).

Membrane proteins are quite interesting because they are involved in extra-cellular signalling, not to mention how many of them are drug targets; simulations are especially time-consuming to set-up, and we tried to develop tools to make the process less error-prone.

Thanks to all contributors!
5) Message boards : News : New publication: Complete protein–protein association kinetics! (Message 47405)
Posted 131 days ago by Toni
I have not been involved in the study, so I think I can objectively stress how significant it is. In spirit, it's broadly analogous to the characterization of interactions between drugs (small molecules) and proteins we pioneered in 2011 - except that this time interactions of proteins with proteins are addressed. On the one hand, this is many orders of magnitude more difficult, given the sizes and flexibilities of the objects involved; but it is extremely significant, because while the discovery of small-molecule inhibitors is somewhat relenting, intervening on relatively larger interaction surfaces is seen as a promising way ahead.

And, by the way, badges should have appeared by now :)

So, congratulations to authors and cruchers!
6) Message boards : Server and website : Email Notifications not working (Message 47256)
Posted 157 days ago by Toni
It should be hopefully fixed. Sorry for the delay.
7) Message boards : News : New badges! (Message 47168)
Posted 169 days ago by Toni
Fascinating, thanks.
8) Message boards : Server and website : SOS-Downloads stuck (Message 45978)
Posted 295 days ago by Toni
Should be solved - https://gpugrid.net/forum_thread.php?id=4466&nowrap=true#45967
9) Message boards : Server and website : hung up down loads (Message 45977)
Posted 295 days ago by Toni
Should be solved now. See here https://gpugrid.net/forum_thread.php?id=4466&nowrap=true#45967
10) Message boards : Server and website : Could we have a Server and WU situation update? (Message 45727)
Posted 311 days ago by Toni
Caffeineyellow summarized nicely. Of the three issues:

1. Server upgrade went as planned and is completed. There are still graphical glitches on the web pages, which we hope to fix with time. Addressing these has to be balanced with scientific tasks and available hands, namely point 3 below.

2. We investigated connectivity issues with your help, and reported them with data to the network admins. There is nothing we can do on the server.

3. Lack of workunits. Of course we would like to increase the amount and diversity of experiments done. This was the main reason behind the server upgrade. Properly preparing experiments however requires time and deep consideration. We are on it. I, for one, would like to prepare further experiments, but it's not something that can be done (properly) from one day to the other.

As always, we are REALLY thankful for your support (and patience).


Next 10