Index | Recent Threads | Unanswered Threads | Who's Active | Guidelines | Search |
World Community Grid Forums
Category: Completed Research Forum: The Clean Energy Project - Phase 2 Forum Thread: Research Log: Updates from the Harvard Team |
No member browsing this thread |
Thread Status: Active Thread Type: Sticky Thread Total posts in this thread: 1840
|
Author |
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks everybody for welcoming Martin! Yes, he is a very bright chap and we are happy to have him on the team. He already has some background in dye-sensitized solar cells from previous work and brings a fresh perspective on things by virtue of coming from the applied physics community rather than chemistry.
|
||
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
The new CEPDB feeder works great – the entire molecular library with 15 million geometries is already read in, and we are now half ways through with the computationally optimized geometries :). I should have rewritten this code much earlier...
|
||
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
The new CEPDB feeder works great – the entire molecular library with 15 million geometries is already read in, and we are now half ways through with the computationally optimized geometries :). I should have rewritten this code much earlier... Ya gotta mention lines of code involved and phrase your observation in such a way as to leave the reader understanding that the safekeeping and optimization of 15 million+ geometries were the stakes or people will conclude that it was a trivial exercise and you indeed should have rewritten said lines of code "much earlier".At least, that is how it works in a corporate environment when you speak of something/anything that isn't intimately understood by the denizens of the executive suite. Fortunately, you're in a scientific/educational environment - and so what is indeed an accomplishment isn't mysteriously/magically transformed into a "black mark" by simple ignorance. lollll...so you can file my left-handed - but otherwise useless - compliment for future reference. |
||
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
LOL, so glad that we are not in a corporate environment and that this is just an informal log to keep our friends up to date on our everyday (research-)life. No need to excessively show off amongst friends .
But we are happy to supply a bit more detail: Our original data model and feeder relied on some standard techniques for the population of databases but this turned out to be unsustainable for large datasets such as the one we have in CEP. The scaling with datavolume basically killed this approach, but only after we invested a good bit of time exploring it. We have now rewritten everything to make use of relatively recent bulk-insert techniques which make it all work beautifully now. Best wishes Your Harvard CEP team |
||
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
We had our monthly phone conference with the IBM-WCG team today and everything seems to be going well. But man, there is so much work to be done on so many different fronts with so few people... Sometimes this project can be a bit overwhelming.
|
||
|
Yarensc
Advanced Cruncher USA Joined: Sep 24, 2011 Post Count: 134 Status: Offline Project Badges: |
I'm sure you guys would be able to get a little help if there was ever a task that others were allowed/able to do (coding, cataloging and the like). If anything that unspecialized ever existed.
|
||
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hi Yarensc,
that's a very nice offer, and we greatly appreciate it. Unfortunately, there is not much "unspecialized" work - quite to the contrary, it eats up a lot of time to get the younger students up to scratch before they become productive and there is also a good bit of overhead to organize everything and synchronize the different efforts. But hey, if it was no challenge it wouldn't be fun. Best wishes Your Harvard CEP team |
||
|
Col323
Senior Cruncher Joined: Nov 4, 2008 Post Count: 372 Status: Offline Project Badges: |
We had our monthly phone conference with the IBM-WCG team today and everything seems to be going well. But man, there is so much work to be done on so many different fronts with so few people... Sometimes this project can be a bit overwhelming. You're doing a great job running the project. The amount of work, promotion, and communication exhibited is admirable and encouraging as a cruncher. You've definitely earned the cycles which come your way. |
||
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks so much Col323 - we greatly appreciate your support and warm words! That makes it all worthwhile.
|
||
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
The team (inclusive some of the alumni) has started to bringing Martin up to scratch – great to see him hit the ground running! We’ll also sent him to a workshop next month on some cheminformatics tools.
|
||
|
|