News October 2002

Wednesday 02/10/02

News from Stanford about some Gromacs coming to a computer near you soon, if you have the -advmethods command line option which is available with beta client 3.14b6 and up. Here is a snip from the change log about the advmethods flag.

-advmethods command line option added. This will give users assignments to the newest scientific cores and/or WU's, before they go into more widespread circulation.
 


The PTrpCage work unit is out of testing and is going to start being assigned to people using the -advmethods flag. It utilizes the newest Core_78.

 

Thursday 03/10/02

It looks like the SETI mob are going to be contributing to the Folding@Home project next year around February or March when they release new client software to coincide with the coming on line of the Parkes Observatory in Australia (which can scan more degrees of the sky than the current telescope in Puerto Rico). The new software will have an option to contribute to other DC projects and FAH was mentioned as one of the projects. So look out of a SETI team (similar to the Google team is my guess) screaming up the charts next year.

With the release of AstroPulse will come the inauguration of BOINC, or Berkeley Open Infrastructure for Networking Computing.
       BOINC, in essence, is “a new layer of software” that separates the different components of the SETI@home program. It will allow changes to be installed without interrupting the screensaver or asking the user to download upgrades...

BOINC will also make it possible to seamlessly integrate different kinds of computing projects into SETI@home, such as programs that analyze biological functions, global warming or anything else researchers can dream up.
       “We’re opening things up to the world,” Anderson said. “It turns out there are many areas of science…that can also benefit from huge amounts of computer time.”
       A project called Folding@home, which simulates protein folding and its related diseases, already exists...

 Users will be able to integrate projects such as Folding@home into their desktop versions of SETI@home by clicking a box, Anderson says. This will also allow users to divide their processing power between projects. “They won’t be forced to choose between one project and another … essentially bringing a form of democracy to science research,”
 

Monday 07/10/02

badg3er has been at it again pushing the folding cause in another forum, this time at www.bittah.com which is a AUS/NZ gaming site mainly devoted to T2, BF1942 and WC3. Here is badg3er's column. Well done badg3er you are a credit to the team with all the publicity you have been getting for us. To you badg3er I have pleasure in awarding you this dedication award.

TheWeatherMan has released version 2.0.0 of EM3 which will track Genome 2 units now among many other new features...

Genome 2 Tracking
Extra Launch Commands
Project Number Display Added
Server Info Display Added
Number of Amino Acids Display Added

Several new features added and a jump in major versions. This first release is a beta. Genome tracking is now enabled in EM III. EM III will currently only track Genome work units when using the F@H3 client. Genome Classic is not currently supported. The feature will enable automatically when a Genome work unit is downloaded and run.

Because some extra features can be enabled when launching the client, you can now add extra commands. These commands will only be added when launching local instances of the client. The extra commands currently are:
-forceasm (Force core assembly optimizations to be used if available)
-advmethods (Use new advanced scientific cores and/or work units)

The -local command is not necessary or needed as EM III adds that automatically when you select to use EM III to launch the client(s). Do not add the -local command!

The Project Number, Work Unit Server, and Amino Acid info (Only applies to Genome Work Units) is now displayed along with the Run/Clone/Generation info.
The F@H info will be displayed like this:
(Project) Run/Clone/Generation [Server]
The G@H info will be displayed like this:
(Project) Amino Acids [Server]

Get it here: http://www.em-dc.com

An interesting snippet of information for the folding Community forums about the new SETI client including a Folding option with it ...

Will the servers be ready for this huge, abrupt influx of new folders?

I haven't made any formal posts about this, but we've been planning for it ever since we've heard about it. We're in relatively close contact with the SETI guys these days. I don't want to go into details here, but we're likely going to be getting help on the server side (from a well known search engine company) and we're beefing up our end server side as well. Right now F@H runs completely on one server, due to some recent improvements. We have ~10 of them, so we can, in principle, handle a 10x increase in users.

Vijay

The servers being a bit more robust and reliable will be at least one good thing to come out of this, interesting times ahead I think.

Thanks once again to xylus here we have the Top 500 OCAU folders for this week.

Wednesday 09/10/02

Well badg3er the magnificent as excelled again and this time Channel 9 in Brisbane are after a piece of him and his Folding mania for a news segment on the Brisbane Extra show. Badg3er is after a few extra's to help him out so get in to that thread and let him know if you can.

Another piece of badg3er news is that he has got a OCAU folding team banner (similar to the one at the top of this page) up at the bittah.com site, another well done mate.

 

Thursday 10/10/02

Today DGROMS.com (David) became the first OCAU member and only the second person ever to pass the 50,000 points mark in Folding@Home2/3 and just beating Norgs (49,012) to the 50K milestone. Well done David you are now carrying the torch and leading the way for all of us to follow.

 

Sunday 13/10/02

The xylus Top 500 is up.

Monday 14/10/02

Thanks to Lombers for letting us know FireDaemon has gone gold...

Hey peeps, just thought I'd let you know firedaemon has now officially gone gold. For all those that donated money to the project (like me), they would have received email confirmation and a reg key for their fully licensed pro version. For those that don't want to donate, you can still download the lite version free, except it lacks a few small features, non of which are necessary to folding@home. Here is a link to the hompage:

http://www.firedaemon.com/

Please do not forget to update your current version, as it will expire on the 15th of October (tomorrow). Look for another HOWTO guide to setting up firedaemon with folding@home, as soon as I get all my stuff together. Let me know if you have any problems installing the program, or have any other questions. Otherwise, happy folding

Thursday 17/10/02

We have now been over taken by the overclockers.com team on Statsman's graphs in weekly production, which means we have the red line. Our weekly production has slowly been declining over the past few weeks and it will decline even more with our two biggest producers switching some if not all of their machines to DF. We have a fairly big points buffer to oc.com so we are in no immediate danger of losing 2nd place, but we need to do all we can so that losing 2nd place doesn't become a realty. As you can see from the chart below we have stagnated while the oc.com guys have been ramping up considerably in the past six weeks which incidentally coincides with their giveaway competition.

Some good news is that our active member numbers are starting to head in the upward direction once again. We have gone from a low of 653 active members last week to 688 today. So keep spreading the word and lets start recruiting some new members to try and hold off the oc.com guys and get back that black line once again.

Sunday 20/10/02

Thanks goes out to xylus for compiling the Top 500 each week which provides the Red Alert numbers above. It looks like we have another big producer on the team with mtech who has slowly been ramping up each day this week, welcome. Fancy being able to drop your production by a 1000 points a week and still  manage to produce over 1300 points, well that's just what DGROMS did, David has decided to focus on Distributed Folding for a while to give that team bit of a boost.

Just on the horizon is a volcano called Google that has just started erupting and they are growing by the hour. They have now over 3950 active members pumping out 6200 points a day which is now the 2nd highest behind the [H] dudes and that means we have been relegated back to 4th in the daily output stakes. It wont be long before they become the top producing team and start pegging back the leading teams in total points produced, we have a lead of over 900,000 points on them so it will be a while before we lose a position to them but if they are going to catch us up they will also be able to catch the [H]orde up as well. So it will be interesting to see how big they grow to and to watch them charge up the ladder devouring all before them.

Monday 21/10/02

A challenge from relic from the [H] team to the top 3 teams to try and reach a combined teams score of 5 million points by New Years day. To reach the target the 3 teams have to increase there combined output by 17,000 points a week, are we up to it? Lombers has already responded

Sounds like a great idea Relic. I'm up to it. Just added my new XP1800+ @ 1712Mhz to the fold, so looking for a small increase in PPW  Fold on...............

also Ironstone has written a poem relic style to stir up the troops...

Although I maybe getting old
I've formed a strong desire to Fold.
I don't know why it grabs me thus,
Perhaps because it's helping "us".

And as I watch my total grow,
It maybe be small but counts, I know.
So I feel proud to share the load
As Vijay works to crack the code.

We are a motley band of Geeks,
From business types to hairy freaks.
But when we Fold we stand as one,
To crunch the work and join the fun.

And when the final puzzles fall
The humble Folder will stand tall.
To each and all I raise my hat,
For we can say "I helped with that!"

So what do you think can we do it? can you match Lombers and add a new machine in the coming weeks. I know I will be adding one next month how about you.

 

Stanford were having a few issues with servers last night so you may have a backlog of unsent WU's. These will be sent when things are sorted out.

A few things of interest that have popped up over the last few days...

First up is an item from the News page at the Folding@home site regarding an announcement of some results of the folding that we have been doing over the past two years. Thanks to xylus for bringing this to our attention.

10/18/2002 Major result to be announced Monday

This major result will be published in the journal Nature. The Nature editors have deemed our work sufficiently important to be placed for Advance Online Publication (AOP) on www.nature.com on 20 October at 1900 London time / 1400 US Eastern time. At that time, you can access the paper from http://dx.doi.org/10.1038/nature01160

There will likely be a fair amount of press heralding this new result. The main jist of it is that we've been able to tackle the main problem we set out to do -- simulate the folding dynamics of proteins and make quantitative predictions for how it works. This has been a "holy grail" of computational biology and is under a lot of competition, including IBM's Blue Gene project

MSNBC have done a story related to the above announcement which you can read here.

Some news on the Gromac proteins and the distribution of them from the Folding Community forums, apparently they will be handed out only to the faster machines with a "benchmark" score of 1000 and up. (this benchmarking is performed when the client is first started). This score is not visible at the moment but Vijay has added it to the "things to do" list

I put out the Gro WU to only the fastest Win machines. We have a speed minimum on all Gro projects. I bet you'll find that your machine that got a Gro WU was pretty fast.

As we roll out Gro more completely, we'll have a variety of WUs with a variety of sizes and the AS will assign to slow vs fast machines accordingly.

The speed cut off is handled by the clients internal benchmark. Right now it's set very high (at "1000"). This score is met only by the fastest machines these days.

On the subject of proteins apparently we are about to get a whopper. An 18 pointer (Project 191 pAla7) is about to be released when internal testing has been finalised. It has a deadline of 22 days, so a few of these running on one machine will be a bonus for the folks with dial up accounts.

Project 191 examines the behavior of a small, 7-amino acid peptide in explicit solvent. We are using it to test our new methodology involving explicit water representation, as well as to try to learn something about the behavior of the basic units of protein structure. The reason for this work-unit being as large as it is, is the fact that here we are simulating not only the protein, but also hundreds of water molecules around it. So, even though the protein itself is small, the total number of atoms in our simulation is large.

TheWeatherMan has released a new update for EM3...

Electron Microscope III v2.0.1 (Update)

New Features and bug fixes:
New Queue.dat file Info Display
Fixed Extra Launch Command Feature
Fixed Problem with Launch Command Check Box
Fixed Genome Point Calculation
Genome data added to emprotx.dat file
Fixed Large Image Display for Genome
Fixed client core shut-down problem
Italian Language Support added
German Language Support added
Language change can be used without EM restart

Because the information in the queue.dat file is often important, I added a display window that displays the information. The only things not there are the start and finish time and date for each finished work unit in the file. I will try and add that some time in the future. The new window can be accessed by pressing the options menu button and selecting a box you are tracking. This enables the selection buttons for several things, the configuration file, the log file, and now the queue file. When you press the button (magnifying glass over paper) to display the new window, the default information will be of the current project being worked on by the client. Pressing the left and right arrow buttons will allow you to scroll through the data in the other queue information blocks. At any time you can press the Display Current W/U button to bring up the information on the current work unit. This makes it easy to get information you need to know if you have to track down work units you completed and sent to Stanford if there is a problem. A history of this information is also available if you select to save your stats info. This window just gives you a quick history of your queue.dat file for the current work and the previous 9 work units on that computer. This new window doesn't have language support yet but should in the next release.

There was a small problem with the extended launch commands not showing up when closing and reopening the options menu window. The info was there when restarting, but the variable that holds the commands was not initialized with the changes while in the options menu. That's fixed.

Also, there was a problem with the launch command check box clearing when going back into the options menu when using Win XP with Service Pack 1 installed. There has been a small bug that most VB programmers ignore and MS apparently fixed when they updated the XP OS. It's been there so long (years) it has become a feature we ignored. Can't any longer. That's fixed now also.

After talking with Stefan about Genome points in the Folding client, I have modified a formula that should give a good estimate of the value. It may not be exact so I started adding support for the Genome side in the protein data file. Currently the info in this file is only used when you create HTML stats pages. I am waiting to see how well the calculation formula works before I decide to cast it out and just change the file like I do with the Folding side of things.

Some of you may or may not have noticed that if you tried to view the Genome protein image in the larger view it didn't quite work as you would expect. It just displayed some garbage in the window. That is fixed now.

Now that the new cores are being used more, I have added support for shutting down all the cores, not just the Tinker core.

Two new languages are now supported, Italian and German. That now gives EM English, French, Italian and German. A Russian translation is being worked on right now and I hope it can be included in the next update. I also added a small extra feature that allows the currently selected language to be changed as soon as you put a check in the box. This allows you to change the language file at any time while EM is running without restarting EM. If you think that the word or words do not describe what something is or does correctly, please feel free to send me a comment along with an explanation and an example of what you think it should be. Some words used in the English version of EM are not used in other languages and don't translate easily. So far the translations have gotten around this because I provided a complete explanation for the odd slang use. In many ways it is a good thing that English is taught in most schools around the world. It would be nice if we had one language so some of our communications issues would disappear. For now, we will just muddle through this.

If you can translate English into your language and it isn't already supported in EM, please help out by doing this. I am still looking for Dutch and Spanish translations. I welcome any language support.

Thanks to everyone who have donated not only a few dollars to my web site project, but to supporting my efforts to make EM useful to everyone no matter what language is spoken by the user. Special thanks to Thomas Fourcade (French Translation), Roberto Cecchini (Italian Translation), and Jérôme Landgräfe (German Translation). Very nice work folks!

Get it here: http://www.em-dc.com
 

Tuesday 22/10/02

Statsman is back but there are a few updates missing from yesterday so the numbers will be a bit funny for a while till they sort themselves out.

Statsman is not showing any updated information since Sunday so unfortunately I cant update the stats in the Stats Bar above and the Folding Clubs.

With the servers being down again this morning you may have another build up of unsent WU's. After yesterdays server outage I had a unsent wu left on one machine that wouldn't send during the day, so I did a -queueinfo this morning and found that I only had the current wu in there and no unsent wu's. Apparently with one of the servers being overloaded yesterday it didn't send the acknowledgement back to the client to clear the wuresults file from the Work directory, hence the appearance of unsent work. So try this and if you only have the current wu in your queue it is safe to delete the offending wuresults file.

The major results announcement from yesterday has received a lot of coverage from the online media outlets and is big news in the scientific community. Basically Stanford with the Folding@Home distributed computing project has achieved what no one else has been able to do so far and that is to use computers to match what happens in the laboratory with experiments on protein folding. They did this with the BBA5 protein that we have been crunching on for the past two years and the have come up with an "agreeable match" to real life folding of the BBA5 amino acid.

Using a simple protein that Martin Gruebele, a professor of chemistry, physics and biophysics at the University of Illinois at Urbana-Champaign, had studied extensively in his lab, Pande's team found the computer simulation of its folding agreed very well with experimental observations. It is an accurate and dependable simulation and could be useful for designing new drugs based on protein folding, Pande said. He noted a number of pharmaceutical companies already have expressed interest in the technology.

They are now concentrating on Alzheimer's disease and with a lot of help from you and I over the next few years we should be able to show something for our spare CPU cycles.

Pande said his team will "now apply this to Alzheimer's and attempt to understand the nature of protein misfolding in that disease." There is no cure for Alzheimer's...

 

Here are some more links to the media coverage.

Science Report
San Francisco Chronicle, CA
... Folding@home, the brainchild of Stanford biophysics Professor Vijay Pende, similarly parcels out the protein folding computations among 43000 active PC- owning ...


Donated computer power unfolds complex shape of proteins
CBC News, Canada
... Jakob disease. The Folding@home project imitates the computing search for extraterrestrial life, called SETI@home. Using people's ...

Computer simulation yields disease insight
United Press International
... His group developed a program called folding@home, which divides up the vast amounts of calculations for studying protein folding and distributes it to ...


Together PCs forecast fold
Nature.com, UK
... origami goes wrong. The Folding@home project uses the collective power of many idle PCs to rival a supercomputer's might. The same ...

Computer simulation yields disease insight
Washington Times, DC
... His group developed a program called folding@home, which divides up the vast amounts of calculations for studying protein folding and distributes it to ...

 

Friday 25/10/02

I have had a few hard drive troubles over the past couple of days hence the lack of updates, but all is well nd we are back to normal. By the looks of things the stats have gone stupid (which has effected Stanford and Statsman) and I guess they would have been irrelevant anyway. Apparently since the press coverage a few days ago a heap of new folders have been flooding the servers with the stats server in particular they are having a hard time coping....

10/22/2002 Large surge in users

There is a large surge in new users which is slowing down the stats significantly. We are looking into ways to fix this ASAP

and this update this morning from the Folding Community forum...

Yeah, we are working on improving stats server. This is a kinda enjoyable pain (?), because the problem showed up with a sudden bump-up in the number of users.

Anyway, we are looking for a long term solution now, and soon it will be done.

Thanks for the patience!
Young Min

 

Saturday 26/10/02

The stats are back and everybody should have been credited for any missing stats from the last few days.

Young Min and I have have checked out the stats system and the db is back on line to the web site. It looks like everything is running fine now, but let's see how it looks over the next day.

 

Monday 28/10/02

Its time to revisit the Folding Poll for all the new members that have joined recently. As you can see its still close for the No1 folding state.

The xylus 500 is up.

Wednesday 30/10/02

A new Gromac protein has been released called pAla7-2 and its is worth 10 points. This protein was going to be worth 18 points but was scaled back for some reason. If you have an SSE or 3DNOW capable machine get on to these WU's because they are very quick, like just over 3hrs on a XP@1684. If I remember correctly the previous Gromac Work Units were benchmarked with the optimizations enabled and fitted in well with the Tinker type WU's points wise if you had a SSE capable machine, but if you didn't (P2) they took for ever to do. This time they must have benched the pAla7-2 with the optimizations off and structured the points accordingly. Therefore if your Pentium 2 has one of these it doesn't have a problem and returns a similar amount of points for the time spent processing it as a Tinker protein. But if you have a new processor this protein is going to fly and reap a bucket load of points for you. Here is the thread from our Forums and one from the Folding Community Forum.

 

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