News archive

8 april 2014
Today a disk has been replaced (RAID) and the famous OpenSSL update was made on this project.

26 april 2013
Due to a general network problem at the University the project was unavailable from 12:21 local time.

17 april 2013
The project has migrated to a new CentOS6 server. All should be fine...

16 april 2013
Tomorrow on the 17th of april (9 am local time) this server will be migrated to a CentOS6 system. Some downtime is associated with this.

18 march 2013
Today the boinc server of this project has been upgraded wrt the hardware.

17 january 2013
The power surge caused by Liander last Monday here at the university not only took down the network, but it also broke down the cooling equipent in the server room. As a result yesterday one of the disks failed and some hardware damage occured on the server. Today the server was replaced and the disk repaired from RAID. The project should be up and running again without data loss.

14 january 2013
Due to a power glitch the network was down for a few hours. No data has been lost.

2 august 2012
Our paper on the static surface model has been accepted and is available here. We thank BOINC and all volunteers of last year for contributing to this!

10 july 2012
The posters and presentation of this years LO1 and LO3 projects are available here.

20 april 2012
Next week six new graduate students will start their projects on Leiden Classical. Furthermore, a paper on the results of the phonon model (for which we used this BOINC project) has been submitted to the Journal of Chemical Physics. Hopefully it will be accepted.

8 december 2011
Today Mark Wijzenbroek handed in his report on the phonon project. Read all about it here. Furthermore, two undergraduate students are currently trying to model hydrogen dissociation on a copper slab including the lattice dynamics on BOINC through this project and on BigGrid resources using LGI. More on that soon.

22 oktober 2011
It turns out that some of the WUs cannot download the input files (they were missing); these files have been created now.

22 oktober 2011
Due to a disk failure on one of the servers, the database and the replicated copy of it got corrupted. A restore was done from a known working backup of yesterday. Some WUs which were send out in the mean time might have been lost due to this. Currently the project runs on just one of the servers, later this week the second server will be put to action again. Sorry about that!

17 june 2011
Last week two students finished their LO1 project on Leiden Classical. More information regarding their project can be found here. Furthemore, more progress was made on the phonon project. See the latest info here.

28 april 2011
As of this week the ClassicalBuilder has been updated. Now students can also submit Classical calculations directly through LGI (Leiden Grid Infrastructure) to this project, to local clusters, the national supercomputer and BigGrid resources from within the builder. Also more news on the phonon project can be found here. Furthermore, as of this month two new students started their LO1 project; they will be using Leiden Classical and BOINC to run their project pretty soon.

9 january 2011
Today BOINC.BE will break the 50M credit barrier. Good start for this year!

28 december 2010
Last month a poster was presented at a workshop in Bordeaux. Read more about it here.

16 december 2010
One of the disks of the two servers had a failing journal for the root file system. The disk has been rebuilt and no data was lost. Sorry for the down-time. Let's also hope the disks do not bail out during the Holidays ;-).

8 november 2010
The harddisk recently replaced turned out to be a DOA. Bugger! It has been replaced now by hopefully not a DOA ;-p. Sorry for the down-time; no data seems to be lost!

28 october 2010
A new version of the phonon application has been made active. Look at for more info.

11 october 2010
The RAID is rebuilt and all is well.

10 october 2010
The broken disk has been removed and is replaced. Currently the raid devices are rebuilding. This will make the server a bit sluggish. Please be patient. The system disk should be rebuild in an hour or so, the boinc data disk will probably take several hours. During that time the project is up and running, but a bit more sluggish due to the rebuilding. Sorry. No data was lost.

3 october 2010
Although Leiden is celebrating, our project is in a bit of a situation; A disk failed on the RAID device on the fwnc7128 server. Currently I'm in the States until the 9th and I hope the second disk of the RAID device holds until I'm back (on the 10th). Once I'm back, the project will be off-line probably so we can change the disk and rebuild the file systems on it. This could take a few hours... Sorry... Let's hope the disk holds or else we need to restore to the last backup point automatically made by the servers each 4 hours.

17 september 2010
Due to a typo in a workunit template a few workunits for the phonon application with a rather short deadline were scheduled. The typo is fixed; the deadline is increased and more info on Sorry about that!

2 september 2010
A new application has been developed and is currently being tested on Leiden Classical. More info here.

15 july 2010
One of the servers had a power glitch a day a go. Some intervention was needed; hence the down-time. Sorry.

22 june 2010
A report has been written on the intermediate findings of the phonon model. Look here for more information.

27 may 2010
Today BOINC.BE passed the 40M credit barrier! Go on, go for 50M ;-).

3 may 2010
Yesterday L'Alliance Francophone passed the 15M credit barrier! Good work!

24 february 2010
Next month two students will start an LO1 project on Leiden Classical. Depending on their research interrest, they will start a new project or continue with an older project of predecessors. Recently also two students finished their LO2 project. Their report and benzene simulation input files can be found here. Progress on the phonon project can be read here and on the 29th and 30st of march, another EDGES / Almere Grid workshop is given. We will be there too.

1 february 2010
Progress has been made with the new application in development; read more about the science here.

15 january 2010
I'm back in Leiden and the Dutch Power Cows broke through the 25M credit boundary! Happy new year all, keep on crunching. As of this month a new application is being developed to simulate phonon effects on the dissociation of hydrogen on copper. More info will follow!

22 december 2009
Just before Christmas BOINC.BE passes the 30M mark at Leiden Classical. Congrats! Happy Holidays from Curacao!

30 november 2009
As of next week I'm finally going on a holiday. The project will continue as normal and I'll check once in a while but perhaps not every day. I should be back in january ;-). Nice holidays for all of you too... Oh and in the beginning of 2010 we'll be developing a new application to model phonons in the scattering of hydrogen on metal surfaces. This new application will be run here on LC but more on that later... m.

10 october 2009
The 25M credit barrier was broken today by BOINC.BE! Congratulations!

31 august 2009
This morning the DutchPowerCows also broke through the 20M credit barrier! Congratulations!

31 july 2009
Team BOINC.BE is about to break the 20M credit barrier today. Congratulations!

15 june 2009
Due to the unexpected application version limit problem on the 3rd, some linux hosts received trajtou workunits. Most of them run fine, some of them crash. The trajtou application for linux was retracted from the database last week, but some hosts keep on crunching, eventhough here in the databse no linux applications for trajtou exists anymore?! An application version update was forced to clear up the issue. Any linux hosts running trajtou, if you want you can cancel the workunits. Sorry about that...

3 june 2009
Yesterday we tried to update the Classical application in light of a student project we are currently running. Apparently, the feeder has a limit in the number of versions of applications you can have on your project and it took a while to sort things out. In the end, we chose to prune the database from older versions of applications and the feeder is running again. Sorry about that...

15 may 2009
After having spent some time studying the theory on 'Modern Quantum Chemistry' students will today be running their first molecular dynamics simulations on Leiden Classical. Good luck!

11 may 2009
As of this weekend researchers and students in Leiden can now also submit their 'Classical' jobs to the DutchGrid. LGI (Leiden Grid Infrastructure) was used to collect all the computing resources the Theoretical Chemistry group has access to into an easy to use interface. 'Classical' jobs submitted through LGI will end up on clusters, supercomputers, glite grid enabled computing elements and last but not least to computers of volunteers registered at this 'Leiden Classical' BOINC project. So keep up the crunching!

7 march 2009
Team Dutch Power Cows now also has passed the 15M mark! Congratulations you guys from the Netherlands!

28 february 2009 released a new project-news specific signature generator. Check it out here. The Leiden Classical specific version can be found here and the site can now also be reached through our main page under the bullet 'Community'.

8 february 2009
Team BOINC.BE has passed the 15M mark! Congratulations!

5 december 2008
Due to an unexpected problem in refreshing the X.509 SSL certificates of our boinc servers, we had issues in bringing up the project. Currently new keys have been generated, new certificates have been signed and apache is up and running again. Sorry for the down-time!

1 december 2008
Last week we participated in the EDGES/AlmereGrid Workshop. You can find the presentation we gave here. Other stuff can be found here.

26 november 2008
Our BOINC servers have been moved and no problems were encountered ;-). Happy crunching again!

24 november 2008
The next Wednesday (the 26th) our BOINC servers will be relocated to the new server-room. The servers will be off-line for about two hours at most if all goes well. Furthermore, as of last week, our BOINC servers are now also part of the LGI grid. This means that scientists in Leiden can now submit 'classical' jobs to LGI, the BOINC servers will pick them up and schedule them to the hosts of volunteers! Finally next Thursday (the 27th) we will be attending the desktop grid workshop in Almere.

11 november 2008
Well it has been quiet a bit, but we haven't done nothing... The last month here in Leiden a new server room has been prepared and taken into use. We have moved several compute clusters already and the BOINC servers of this project will also be moved in the next few weeks. We will keep you posted on that. At the same time at the end of the month there will be a desktop grid workshop here in the Netherlands and we will be there too. More information on that here. Furthemore, another grid project Leiden Classical has been involved in also starts to take shape. Within the LGI project we have developed our own grid middleware and we are about to include the Leiden Classical BOINC project as a compute resource for our own LGI grid setup. Currently our own compute clusters, the national super computer, together with the national cluster, are already part of that grid for chemistry related applications like Gaussian and VASP. We do have some cool screenshots here. Keep you posted on that too...

19 september 2008
Okay, we are back from America and had a very busy two weeks because of the beginning of the academic year ;-). Anyway, as promissed, here is the pdf of the presentation I gave last month in Delaware. I'll try to get the others too. Also, there was a BOINC workshop in Grenoble. Details on that can be found here and here.

26 august 2008
The Foundation for Computational Learning and Science is performing a survey of BOINC users. The survey asks BOINC client users about their demographic data, level of education, income, project participation, level of interest, suggestions for improvement, and technical data related to their computers running BOINC. If you would like to participate the survey is here.

30 july 2008
At the end of August a BOINC gathering will take place at the Docking@home project: I'll be there too to talk about how Leiden Classical uses BOINC in teaching. Shortly afterwards, at least my presentation will be posted here too for those who couldn't make it ;-).

16 july 2008
This afternoon the project was down for an hour. We had to activate Fwnc7129 again and check the disks. Both machines Fwnc7128 and Fwnc7129 work fine now. The down time was in total not more than 4 hours and no results have been lost ;-). Phew!

15 july 2008
Due to an unfortunate incident, one of our servers is momentarily down. Fwnc7129 had a failed harddisk, Fwnc7128 has been setup to take over and we are currently working very hard to restore and bring back online fwnc7129.

4 july 2008
Yesterday this BOINC project and a lot of other people fell victim to a spammer. Spam content was scripted into this projects fake user profiles and spam send from an yet unknown e-mail relay server, referred to these fake profiles. Measures taken at Leiden Classical were: 1) fake user accounts and profiles removed from DB, 2) user agent checks implemented into server PHP code (thanx to Willy de Zutter from BAM and BOINCstats) and 3) akismet checks on profile content has been implemented. Hope these measures stop the spammers!

2 july 2008
Today the DutchPowerCows team crossed the 10M credit barrier on our project. Well done guys, keep on crunching!

16 june 2008
The two students Anniek and Frank have finished their project on Leiden Classical. They created the basis for future student research projects in the finding of force-field parameters. You can look at their presentation here...

16 may 2008
Updated all the client applications to using the boinc 5.10.45 library and using less dynamic libraries. Hopefully this resolves some outstanding issues.

28 april 2008
Last week a group of 3rd year bachelor students conducted a project on Leiden Classical. They tried to compute the diffusion coefficient of the water model we are studying. During their project they made use of the new Classical Builder. This new builder version is capable of submitting calculations directly to the Leiden Classical BOINC desktop grid! On of their findings for this model was that even at 298 K the water still lacks correct liquid like behaviour. Further scientific study is needed on that project! Furthermore, two other 1st year students are setting up a project on Leiden Classical too, they intent to improve the HCl in water simulation of two year ago. They took on a challenging task and we are all curious what the result will be!

30 march 2008
Today BOINC.BE broke through the 10,000,000 credit boundary. Hopefully other teams will follow shortly!

11 march 2008
The Linux 64 bit trajtou apps have been recompiled on an up to date system. The problems on newer Linux systems should be solved by this.

18 january 2008
Updated Classical app. It appeared that the 5.51 version had an issue when the WU has finished. The GPF fix of the 14th has been been removed and another method is implemented.

14 january 2008
The Classical application has been updated. A fix has been introduced in the screensaver that hopefully resolves a GPF under windows that sometimes appeared when a workunit finished when the screensaver was active. Other applications were not affected.

17 december 2007
Last week Hugo and Hugo finished their Pre-University project. Look here for their report and findings.

10 december 2007
The Classical application has been updated. It includes a different definition of how to calculate the pressure now. Please update.

14 november 2007
Two high-school students, both called Hugo, have been studying very hard lately and are now ready to start their project on Leiden Classical. They will be investigating the water model we have been studying already on Leiden Classical. They will try to determine the correct density for the system and see if the water model also 'freezes' correctly. This research is part of the their pre-University college the University of Leiden offers to high-school students and their high-school graduation project. Let us wait and see what they find out and discover!

15 october 2007
Next Sunday the 21st of October the University of Leiden will open the doors for the general public. See The Leiden Classical project will be there too! If you want you can have a look at the servers than run here for this project... You can also ask one of our professors anything you want regarding the science... The entrance is free! Hope to see you there...

18 september 2007
We are back from Geneva and we had to relocate the Leiden Classical servers yesterday afternoon. Somewere this week they will find their final location and we hope this has not caused to much greeve.

2 september 2007
We are off to Geneva to the BOINC workshop. When we are back, on the 14th of september, Dr. David. P. Anderson will pay Leiden Classical a visit too. His (open) presentation will start at 14:30 in the Havinga room here at the Gorlaeus Laboratories in Leiden. We are all very excited!

13 july 2007
Leiden Classical appeared on the news list of BOINC Berkeley. It is stated there that we use BOINC for educational purposes... That is most certainly true! but we do science with BOINC too ;-)... Students are the scientist of tomorrow and therefore doing good science implies doing well on their education too... We do like to combine both worlds as was done in our previous project of which the new item appeared on the 25th of june!

25 june 2007
Last week two students, Thomas-Jan and Bart-Jan, finished their LO1 research project on Leiden Classical. In this project the goal was to teach these first-year graduate students to work in a scientific manner. The presenentation they gave in Leiden and Delft can be found here. During the project Thomas and Bart have performed over 675000 classical dynamics trajectories within a weeks time on the Leiden Classical grid. With these calculations they have reproduced the 'rotational hindering' effect that was experimentally observed on the dissociation of hydrogen on copper, making use of a Modified Sheppard interpolated potential energy surface. We are all very excited about these new scientific results and other similar projects will follow!

21 june 2007
The server software has been updated to version 5.10. Let us wait and see how things behave the next days ;-)...

12 june 2007
Found a bug in the 5.10 BOINC API that affected predominantly Linux 64 bit and fixed it. Also recompiled all applications and linked against the fixed API library. Please update...

11 june 2007
The 64 bit 'trajtou' applications sometimes fail in the 'boinc_init_graphics' call for some unknown reason (return code 204 ?!). Further investigations will have to be made, but because this might take some time and we are currently in the middle of testing the 5.10 release for the server software too, they have been removed for the time being... The 32 Linux bit applications have no problems... Yet again another bump in the road... so... Keep you posted!

09 june 2007
The F2C boincyfied library has been recompiled against the 5.10 release and the 'trajtou' applications have also been recompiled and linked against the 5.10 release. Moreover the Linux 64 bit binaries are now true 64 bit binaries for the 'trajtou' applications and EM64T support for the F2C boincyfied library has been included. The updated F2C library can now be downloaded. Back to testing the patched server software... Keep you posted!

09 june 2007
The classical application has been updated and now the Mac Intel platform is also supported. We are currently in the middle of testing the latest (5.10) server software and as soon as that turns out to work, this project will be updated... First the other apps will be recompiled and linked against the latest (5.10) boinc API too... Keep you posted on that!

22 may 2007
The Classical application has been updated; 1) the code has been ported to 64 bit for Linux and the executable is now a true 64 bit binary, 2) the code has been profiled and optimized and 3) the standalone (non-boinc) version has also been parallelized using OpenMP with the Intel 9.1 C++ compiler for Linux EM64T. The latest binaries and the most updated source code can now be downloaded.

02 may 2007
The Classical application has been updated and now includes Langevin dynamics. The sources and the new binaries are available for you to download from their usual places. The manual has also been updated...

26 april 2007
A little update on some of the science; we have adapted the water model to include 64 water molecules. We are currently investigating if the 'Flying Ice cube' effect still occurs with bigger system sizes. With the current flexible water model of Ferguson [J. Comput. Chem., 16 (1995) 501], the fluid seems to freeze up after about 10 ps at 25 degrees centigrade. This should not happen and literature suggests that this might be due to the way people usually keep the fluid at a constant temperature during the simulation. One often adopts some sort of “velocity rescaling” method to achieve that. At the same time investigations are being made to include other thermostats into the program to solve this artifact. We are actually thinking of including 'Langevin dynamics' into the program... Keep you posted!

23 april 2007
Last week 3rd and 4th year chemistry students tried to calculate the diffusion-coefficient of water as part of their modern computational chemistry courses. They have used the grid for that. Currently we are also investing the water model in more detail. Moreover, like was mentioned around Easter, this week first year students will start to use the grid to calculate the rotational enhancement and hindering effects of molecular hydrogen dissociating on Cu(111). In this project a new potential energy surface for the system is investigated.

17 april 2007
Update of Classical. Found a typo in the input file reader causing some WU to crash at the start. Please update to the latest version.

16 april 2007
Added support for the FreeBSD 6.2 platform thanx to Dotsch. Also updated the Classical application to include some new scientific simulation features. The sources too have been updated and the new FreeBSD binaries are ready for you to download...

5 april 2007
Because it is nearly Easter, try to find the 'easter egg' of this project ;-). Hint, maybe after Easter, some students will start with a project using the Leiden Classical Grid. Can you guess now? Furthermore, have a look at sharedmemory.php. With special thanx to Andre Kersten from the Docking@home crew... Happy egg-hunting you all!

13 march 2007
A final update of Classical was perfomed; the program is now stable. Furthermore, checkout our new Classical-Builder project. Classical-Builder is a Java3D graphical user interface to build input files for the Classical application.

9 march 2007
Don't you just hate typos? Well I do! So... a new version update! Please update yet again ;-)...

8 march 2007
Another version update has taken place. There was a problem with the accuracy of the checkpoint file. Please update to version 5.39 now!

5 march 2007
This weekend the new 5.38 version of the classical application became available. This version has been compiled with the ieee correctly rounding math library crlibm and should give far more consistent results on all different hardware classes. Hopefully the 'no credit granted' issues because of results classified as 'invalid' by accident, go away as soon as all hosts have updated to the new 5.38 binary! Let's wait and see what now happens ;-)...

27 february 2007
The scheduler has been adapted to deal with the new CPU naming conventions of the BOINC clients. The hr_classes have also been updated and now include a special class for the Intel Core2 CPU's. Furthermore, the code has been successfully adapted to use the ieee correctly rouding math library crlibm. Currently tests are performed on how this code behaves and as soon as things turn out to be working, the new code version 5.38 of Classical will be made active!

05 february 2007
The feeder scheduling algorithm has been slightly updated. Now the odd/even workunits (and not the results) are being scheduled across the two servers. Hopefully this will allow for a higher throughput of work with less waiting times involved in waiting for results to be validated and credit being granted... Currently, also investigations are being made in how a correclty-rounding floating-point library (crlibm) can be used to get more consistent results without the round-off problems across the different hardwares available... Keep you posted on the subject...

04 february 2007
The hosts that were affected by the crashing workunits of the 15th of january have recieved their missing credit. Sorry for the delay...

23 january 2007
The Classical application has been updated. Another singularity was removed from the torsional interaction. Workunits should now run normally and not get stuck anymore.

15 january 2007
Please abort any WU's with the name wu_164284800_*. These turn out to run forever and seem to get stuck! I'm Currently testing the application with some of these specific WU's and trying to locate the problem. Other WU's seem to run fine... Also look at the thread in the forum about it.

09 january 2007
Well hello crunchers, Happy New Year ! Lets start this year with a small update of the Classical code. After elaborate tests a possible singularity in the torsional interaction was found. This was not realy a problem, but never the less the fix has been implemented.

21 december 2006
Time to hit the Holidays! Thanx crunchers for a very fruitfull year as we have reached the 750 Gflops sustained capacity! I am going on a Holiday and take some rest... No worries, he project will continue on it self... Have a nice Christmas and a Happy New Year and see you on the 8th of January!

5 december 2006
Sinterklaas has visited Leiden Classical. Leiden Classical is now exactly 1 year old and has reached a size of about 500 gigaflops (sustained). Moreover, we had a visit from Michella Taufer, who is well known from the predictor@home and the docking@home projects. With this meeting we will start a fruitfull collaboration and to make the day even more perfect . . . . . Today we obtained a very generous donation from our local computer company Quibus: we got an Intel Quad Core Itanium server! Whouw! This means more work for me installing the thing again... but hey... I'm not the one who's complaining ;-)! Thanx ! So crunchers... keep on crunching and we'll keep on working too for more work and science!

29 november 2006
The Dutch Power Cows have taken Leiden Classical on as one of their projects! See this link for more information (Dutch). Furthermore, last week the scheduler has been updated and from now on, Pentium D and M processors now have hardware classes on their own. Less invalid results are to be expected because of this... Keep on crunching!

11 november 2006
Dear crunchers, you can stop canceling the 'wu_80398718_*' WU's from last week. The DB has been updated and they should crunch correctly now!

9 november 2006
Due to a typing error in a template, all workunits with the name wu_80398718_* sent out between the 6th and now will probably crash with a disk bound error. Please abort these WUs and read this thread!

6 november 2006
The work unit crunching time has been increased to allow for more efficiency. Furthermore Leiden Classical appeared in Wikipedia. Though, still in Dutch, we do welcome this effort of 'Filmfreak'!

3 november 2006
New work is currently being injected into the database and ready to be crunched! Enjoy!

2 november 2006
The database has been significantly reduced now... The servers should be more responsive now and probably tomorrow new work can be scheduled! Thank you all for your patience...

22 october 2006
Due to a power failure, the servers were off-line for a couple of hours. Fuse has been fixed now ;-)...

04 october 2006
Leiden Classical was interviewed by Ars Technica! Currently, the database is filled with new WU's ready to be processed... This might delay some validating, but credit will be granted prety soon!

29 september 2006
The migration to the new servers went rather smoothly... A lot of workunits are being generated now and it should all work fine by now... It might be the case that some results will be 'pending' for some while because of the amount of work available... Just be patient, the credits will come in a few days ! Keep on crunching !

11 september 2006 2nd
As it turns out, boinc clients cache IP numbers. Please restart the client to contact the NEW servers!

11 september 2006 1st
The servers have been setup, tested and are made active. Currently the DNS has not been updated yet, all http trafic will be redirected to the two new servers. ! The boinc_test url is therefore temporary ! After a few hours the DNS will be updated and then new crunchers are very welcome ;-).

30 august 2006
Currently the two servers have been setup and are running a test project. It all seems to be working so far so probably next week, after I've tested the test project a bit more, the migration can take place. I'll keep you posted on this and tell you the plans as soon as we have them ;-). I yet emphasise everyone to use the new URL from now on in order to migrate smoothly!

22 august 2006
Back from Holiday and currently installing the new server, so account-creation will be open soon! Keep you posted!

08 august 2006
Experienced a server outage during the weekend again... The machine is back on-line now, no database errors seem to have occured. When I'm back from curacao I'll start investigating. By that time we also hope to have the other server machines up and running and have less problems. Back to the sun for me now ;-).

14 july 2006
Last night the server went off-line and the database somehow got corrupted. The database has been restored with a 2h previously made backup. The damage should be minimal, but further investigation is needed to determine why the server went down in the first-place... Mind you, this is still the old machine that will be replaced during the next month when I'm back from Holiday... But still... Anyway, things seem to have been fixed for now... Back to enjoying the sun ;-)...

4 july 2006
Well good news and some bad news... Good is that today the two new server machines have been delivered ;-). The bad part is... I'm going on Holiday next week for about four weeks... Oh, ah, that's bad ;-)... Anyway, the servers have arrived, a test install of Scientific Linux 4.3 x86_64 showed we still need to twiddle with the NIC drivers, but nothing to worry about, I'd say ;-)... Somewhere at the end of next month we should have been switched successfully without you guys even knowing it... hopefully ;-)... For me, have a nice Holiday cause I needed one in four years and I'm gone! Bye!

16 june 2006
Yesterday third year chemistry students successfully completed part of their Molecular Mechanics course by making use of the Leiden Classical desktop grid. Perhaps some of you saw the liquid argon being simulated on your computer fly by. The assignment the students were given can be found here. At a later stage some of their results will probably also be made public there. Furthermore, at the end of this month the new dual core xeon em64t cpu's of Intel should be available here in the Netherlands. This means that our server will be delivered pretty soon! I'll keep you posted and you guys will be the first to know when the nodes are up and running so more users can join in!

4 june 2006
Last Friday first year graduate students successfully finished their project using the Leiden Classical desktop grid. The poster (english) and the presentation (dutch) they made can be downloaded here.

31 may 2006
Currently 1st year chemistry student of the Leiden University are using the grid. They are investigating the forces that are needed to be able to ionize HCl in the Ferguson flexible water model. Next friday they will present a poster and a presentation. At a later stage the poster and presentation can be downloaded from this site too. Moreover, the server has been ordered, we are waiting until our supplier can deliver the dual node dual core machines. Once they are installed, account creation will be enabled again. Oh, and before I forget, pretty soon other chemistry students will be simulating liquid argon too...

22 may 2006
! Success ! Starting to buy the new server for this project. Pretty soon more people can join in ! Moreover, updated the server software a bit. The BAM host creation problems should now be fixed. Also other scientific applications, which will be run on this project too, are well on their way...

4 may 2006
The old URL (, which was actually still active, has now been set to redirect received requests to the new URL ( Physically the same machine is still used with two diffrent IP numbers. If, however, somehow your client fails to contact the scheduler, please detach and re-attach to the new URL. Also the project html pages have been partly updated against the Berkeley CVS.

3 may 2006
The steps that were taken to get a decent server up and running seem to be paying off. Because of this the stats can be made public, however account creation has been turned off until the final server has been setup. More info will follow on that pretty soon, so be patient users, be patient... Apart from that, steps have also been undertaken to allow for other scientific applications of the Leiden Institute of Chemistry to run on this BOINC grid. These apps will probably not be publicly available for every one. Soon some extra information on those applications will be made available too. Obviously the Classical application will remain public, updated and accessible for all users!

24 apr 2006
The Classical application has been updated. One can now make automatic snapshots of a dynamical trajectory run. Read the updated documentation for more information.

29 mar 2006
The Classical client application has been updated. The LGPL library now includes constraint dynamics. The latest sources are now available as well as precompiled standalone binaries, including the updated documentation, all at the usual places.

24 mar 2006
The feeder has been slightly reconfigured to allow for more work throughput; the corresponding IP shmem table has been made bigger and now allows for 256 units and the feeder now tries to fill the shmem table with results all from different workunits as much as possible. The jobs submitted by users are now also set to a higher priority and therefore get scheduled faster than the regular work.

19 mar 2006
After the success of adding a special hr_class for some of the AMD processors, the scheduler has been extended to do the same for the Intel CPU's. Now the validation is no longer a problem on Windows and Linux machines and now less than half a percent of the workunits is marked incorrectly to invalid because of numerical discrepancies between the different FPU's. Furthermore, three extra applications have been added. Although one of them gave some troubles in the last few days (perhaps some noticed the workunits error messages), they now work all fine. The new applications simulate the scattering and reaction of a hydrogen molecule on a static Pd(110), Cu(111) or Pt(111) surface. These systems are important in the basic understanding of catalysis (see for more info on that). Even better news is that steps have been taken to get some funding so the project can be run from a decent server. Oh and last but not least, the f2c program library, which can be downloaded from this site, now also allows for F77 codes to be translated, and linked against a BOINC (graphics too) enabled version of the f2c library. Old F77 codes can now be very easily translated into C/C++ and automatically made BOINC aware, with a minimum of work. Just need to add the graphical callbacks if you want the graphics, or use the text only version without hardly any extra work!

11 mar 2006
The server software has been updated to identify Dual Core AMD processors as a unique type of processor. As it turned out, the dual cores produce different numbers as their single cores counterparts. Has AMD changed some things in their FPU's ?! Anyway, the fix should help to get better validation of results... Furthermore, some other patches have been applied to the validator itself too... It should now handle error results, for which no files have been uploaded, better and not quit...

07 mar 2006
! Time to switch URL ! Currently the server has been assigned a second IP number, and with it a new URL ( The old URL ( is still active and will be the rest of the month. After that, the fwnc7003 URL will automatically redirect to the boinc URL for another period and after that, the fwnc7003 URL will be made inactive. Currently both URL's point to that same server machine (fwnc7003) but use different IP numbers and obviously different certificates. People joining in from now on automatically will work through the boinc URL and should *only* use the boinc URL to attach. Older members are requested to change URL this month by detaching and re-attaching to the new URL. Also now you are free to choose whether you want to use the https or http. Both are supported and by default the scheduler URL uses http now!

01 mar 2006
The Classical application code has been updated. Some little bugs are gone. Both the sources and the binaries have been updated! Also the user interface to your personal queue has been improved. You now have colors and you can get info on the workunit of your job... Furthermore, the versioning now works and it looks like the feeder/scheduler behave correctly now ;-)... The original code also had some race-conditions ?! Oh oh Berkeley... Oops ;-)...

24 feb 2006
Well, the feeder scheduling has been validated and the cgi schedular has been optimized. People should now get a better responce for work when requested... We'll have to watch it for the time being though. Furthermore, a good sugestion is to hit the project 'update' button and the project 'reset' button, in that order, in the manager once a week. It turns out that the verion updating isn't yet optimal and you might want to get the latest application binary ;-). Time to investigate the error reports now ;-)... Happy crunching...

20 feb 2006
Now compiled binaries of the Classical application can be downloaded from the site. This allows you to run little test inputs at home on your computer if you want to. Be sure to read the documentation first though!

20 feb 2006
Code update(s) done. As of today the Classical application has support for checkpointing and an input check is perfomed on the user input before the job is submitted. Furthermore the statistics are now fully exported each day and lot's of other fixes. The code should now also produce the same results on different types / flavours of CPU's, but that still remains a tricky buisness and still needs to be tested thouroughly ;-)

14 feb 2006
Server down for a day because of software problems. As it turns out, when updating mysql on the server, a EM64T running in 64 bit, an error in the database caused the feeder deamon to stop without any error messages whatsoever. Had to debug all night, to find the cause, but found it I think... Anyway, back in buisness in 64 bit with a fresh database, so perhaps, you might hit the 'update' button on your client ;-)

31 jan 2006
Maybe you noticed... A new link appeared... Yes sir, now one is able to submit a personal calculation to the desktop grid... Just hit the 'Your personal calculations' link on the left here under 'Returning participants'. You are allowed to submit five calculations in total for the moment for testing purposes obvisously ;-). Have fun !

25 jan 2006
The documentation has been finshed and is available, together with the source of the code. Also a number of links about classical mechanics have been added. Currently I'm hard at work making a poster to be presented (and later on to be downloaded at this site ;-), and to implement the 'personal job-queue' web- interface. Learning PHP now ;-)... I'll keep you posted !

4 jan 2006
First of all... Happy New Year and congrats with the first two weeks of uninterupted service of the BOINC server... Yes yes, finally removed a nasty bug from the so-called 'feeder-deamon' running this joint. Moreover, the forum section is now working and the Q and A part too if I'm not mistaken... You are invited to have a look!

8 dec 2005
Removed a nasty Linux bug from boinc ! No more gigabytes of error messages from boinc because of bad glutting ;-)...

6 dec 2005
Now you simulate different systems !

5 dec 2005
This site is up and running... Clients are available for Linux, Windowze and Apple architectures ! Come and join in!

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