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seafsee
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Joined: Apr 02, 2004
Posts: 4920
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 Posted: Mon Nov 29, 2004 10:00 am Post subject: Folding@Home News |
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| Folding@Home News wrote: | 11/12/2004 Rough week for FAH: unplanned power outtage and network problems
It's been a rough week for FAH. There was an unplanned power outtage in the building housing our secondary server room. This outtage had an impact campus wide, including in our primary server room. This appears to have lead to a problem with the cooling in our primary server room and that's being dealt with. Also, we continue to have some issues with the network due to the switchover to the new network (Medical school vs Campus). Both of these issues are being actively worked on, but may take some time to finally resolve. FAH is up and working quite well all things considered and hopefully we'll get the last bits up later next week.
11/7/2004 New awards for Folding@Home
Folding@Home lead developer and research scientist Guha Jayachandran has won the top award at BCATS2004. Prof. Vijay Pande has been named a 2004 Technovator. See the Awards Page for more details.
11/4/2004 New web pages for team creation/modification
We've done some significant re-working of the team creation and changing web pages to avoid the db problems many people have been having. We now understand why the page was failing and we believe our fix should handle it. Sorry for the problems in the first place!
10/24/2004 AMBER core FAQ
We've set up an AMBER core FAQ to address questions relating to this new core.
10/12/2004 New core: AMBER core 82
We are releasing a new core, based on the AMBER MD code (see the FAQ for more details). The AMBER core will give us functionality not present in either the Tinker or Gromacs cores.
AMBER uses double precision only. AMBER does not currently have SSE2 specific assembly code and so it will likely run closer to Tinker than Gromacs in general performance. We are planning on adding SSE2 support in future revs, but to keep the core as stable as possible in the initial rollout, we've left it out. Keep in mind that since AMBER uses double precision, SSE2 won't help *that* much.
Since this is a new core, there may be unexpected problems. However, this core has been extensively tested in house and has done extremely well in beta testing. Also, since it doesn't use SSE2 as heavily as Gromacs or other issues which push the limits on CPUs, it will likely be less troublesome to release than the Gromacs core was.
We are very excited about the new scientific possibilities that are posssible with the new core. More news on these results as they come in!
10/4/2004 Dutch translation
Thanks to Tom Huls (Tochjo), we now have a Dutch translation. See http://folding.stanford.edu/dutch/
7/9/2004 New French translation on-line
Thanks to Sandrine Cortet, we have a new, more extensive French translation. She's done all of the FAH pages, including the Education pages! She deserves a great thanks for her extensive contribution. Thanks!
9/9/2004 FAH breaks the 1,000,000 CPU and 100 TFLOP barrier
We've pased the 1,000,000 total CPU mark. See the OS stats.
| OS stats wrote: | Client statistics by OS
| OS Type | Current TFLOPS | Active CPUs | Total CPUs
| | Windows | 172.676 | 143897 | 936088
| | Mac OS X | 7.004 | 8755 | 65485
| | Linux | 12.257 | 14409 | 103656
| | Other | 0.0 | 0 | 0
| | Total | 191.937 | 167061 | 1105229 |
Total number of donators = 397824
Last updated at Mon, 29 Nov 2004 00:38:23
Active CPUS have returned WUs within 50 days.
TFLOPS is actual flops from MD, not the peak values from CPU specs. |
We also have included new stats on the number of TeraFlops (Trillion FLoating point Per Second) done by FAH. At the moment, FAH is one of the most powerful (if not the most powerful) supercomputer in the world (most supercomputers are at the single TFLOP level and FAH can do ~200 TFLOPS). How can we reach this level? Lots of CPUs (over 150,000) and very highly optimized code using CPUs to their fullest (eg SSE).
9/6/2004 New servers on line
We've been steadily adding new servers on line. These are very high powered machines (dual Opteron, lots of RAM, and 5TB storage each). These new servers will play a very important role in several new, important projects we're rolling out. Also, they'll help with server reliability, server response, and uptime.
Finally, with the new servers, FAH breaks 40TB in online server storage! |
The percentage of active CPU's has actually risen since 5/16/2004 when Folding@Home reported 160,000 active CPUs for an active rating of 15.06%. In comparison, the updated numbers from this morning now show 17.37% active. Please note: these statistics are for CPU's not participants 
How does CCSP Team F@H (#35586) compare?
Quite well actually. Here are some interesting current facts.- We now have 93 registered members. Of these 63 are counted as active by F@H, which counts any activity within a 50 day time frame.
- kakaostats - a new look for distributed computing afficiandos apparantly uses a different time frame, perhaps 30 days. They show our active members to be 57 - actually not too different. This equates to a 61.3% active member rating.
- F@H numbers show it to be higher - 67.7%!
Now, here's where it gets really interesting. F@H lists our number of Active CPU's at 130! With (only!) 63 active members, this means we average just a little over two CPU's per active member.
Less than two months ago we showed 85 active CPU's. While a large part of this increase can be attributed to the number of PC's some of our team has access to, another part of it can be attributed to those running multiple instances of F@H on single machines. I show as having three active CPU's although I only have two and this does not count the one I get credit for as chasfc11.
Perhaps it's time to write the definitive guide for our team for use as a guideline?
If doing away with the ability to see the graphics (and many are fond of the graphics) is an issue, there are third party applications available for this purpose. I personally have no experience with any of them, but others on the team do, and don't seem to mind discussing it.
Barrius and Tamara_aka_Satchick are doing great amounts of work and Tamara_aka_Satchick  in particular is in uncharted territory as of late. ketthors has returned to the active list once again - welcome back. Newer member Much2stressed and last week's new member Kraken have been putting up very good numbers. TJXPERT has suddenly put on a big surge. I for one would like to hear how he's doing it!
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seafsee
General
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Joined: Apr 02, 2004
Posts: 4920
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| Posted: Thu Feb 03, 2005 7:36 am Post subject: New NEWS/UPDATES |
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| Folding@Home News/Weblog wrote: |
1/15/2005 First results from Folding@Home cancer project published
We have been studying the p53 tumor surpressor and our first results on p53 have recently been published. {Note by host: Abstract reprinted below} You can find a summary and link to the paper on our papers page. **
{Note by host: The five most recent Scientific papers (including this one and the latest about cancer research) can be uploaded from the link at the end of this post.}
To our knowledge, this is the first peer-reviewed results from a distributed computing project related to cancer. Thanks to the continued support of F@H donors, this is will be just the first of many cancer related works that will come from F@H.
The nature of our results can best be described in our paper. However, here's a brief summary of our results. Roughly half of all known cancers result from mutations in p53. Our first work in the cancer area examines the tetramerization domain of p53. We predict how p53 folds and in doing so, we can predict which amino acid mutations would be relevant. When compared with experiments, our predictions have appeared to agree with experiment and give a new interpretation to existing data.
ABSTRACT:
Journal of Molecular Biology
Volume 345, Issue 4 , 28 January 2005, Pages 869-878 wrote: |
Dimerization of the p53 Oligomerization Domain:
Identification of a Folding Nucleus by Molecular Dynamics Simulations
Lillian T. Chong (a), Christopher D. Snow (a, b), Young Min Rhee (a) and Vijay S. Pande (a), Corresponding Author Contact Information.
a Departments of Chemistry and Structural Biology, Stanford University, Stanford, CA 94305-5080, USA
b Graduate Group in Biophysics, Stanford University, Stanford, CA 94305, USA
Received 30 August 2004; revised 26 October 2004; accepted 27 October 2004.
Edited by C. R. Matthews. Available online 17 November 2004.
Dimerization of the p53 oligomerization domain involves coupled folding and binding of monomers. To examine the dimerization, we have performed molecular dynamics (MD) simulations of dimer folding from the rate-limiting transition state ensemble (TSE). Among 799 putative transition state structures that were selected from a large ensemble of high-temperature unfolding trajectories, 129 were identified as members of the TSE via calculation of a 50% transmission coefficient from at least 20 room-temperature simulations. This study is the first to examine the refolding of a protein dimer using MD simulations in explicit water, revealing a folding nucleus for dimerization. Our atomistic simulations are consistent with experiment and offer insight that was previously unobtainable.
Keywords: tumor suppressor p53; oligomerization; protein folding; protein interactions; molecular dynamics simulation
Abbreviations used: p53tet, p53 oligomerization domain; EC, encounter complex; MD, molecular dynamics; TSE, transition state ensemble; TS, transition state; RMSD, root-mean-squared deviation; dRMS, distance root-mean-square
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1/14/2005 Folding@Home breaks 170,000 active CPUs.
Folding@Home continues to attract more donors. Thanks to all for their contributions! The great outpouring of support has really paid off, allowing us to perform calculations which would otherwise be impossible (even with exclusive use of high end supercomputers like IBM Blue Gene). For example, we'll be making an announcement of some recent results related to cancer soon.
| _________Client statistics by OS_________ |
| OS Type | Current TFLOPS | Active CPUs | Total CPUs
| | Windows | 186.256 | 155214 | 995821
| | Mac OS X | 7.704 | 9630 | 68767
| | Linux | 13.482 | 16847 | 113847
| | Other | 0.0 | 0 | 0
| | Total | 207.442 | 181691 | 1178435 |
Total number of donators = 422057
Last updated at Wed, 02 Feb 2005 19:01:48
Active CPUS have returned WUs within 50 days.
TFLOPS is actual flops from MD, not the peak values from CPU specs.
12/15/2004 New Folding@Home exhibit at the San Francisco Exploratorium
Folding@Home has been partially funded by and has continued scientific and teaching collaborations with CPIMA. One of the fruits of this collaboration has been the education pages.
More recently, high school teachers Gary Benz (American High School, Fremont, CA) and Claudia Winkler (Gunn High School, Palo Alto, CA) have developed exhibits for San Francisco's Exploratorium.***
There's a {Note by host: This is a link to a PowerPoint file!} kiosk version as well as web pages detailing their efforts (including a high school level program and exhibits for the museum floor). |
*** Upcoming Calender of Events: Webcasts:- Where Have All the Rovers Gone?
February 8, 2005
2:00 p.m. PST
It's been over a year since the Mars Exploration Rovers, Spirit and Opportunity, touched down on the surface of Mars. When launched, the rovers had a projected life expectancy of three months on the red planet, but they have outlived our expectations and gathered a plethora of information. Join us as we sum up all the new data and explain how this information changes our view of Mars.
- Don't miss this other exciting webcast!
February 11, 2005
12 noon PST
Iron Science Teacher
Valentine’s Day Edition
Grab a loved one and join us for this wacky competition among science teachers. Competitors will have ten minutes and a secret, romantic ingredient to concoct a science or math experiment. Last year’s show included chocolate volcanoes and cocoa craters; you won’t want to miss this year’s show!
** Recent research Papers
(Reverse chronological order)
- 20. Exploring the Helix-Coil Transition via All-atom Equilibrium Ensemble Simulations
Eric Sorin and Vijay Pande. Biophysical Journal (2005)
- 19. Dimerization of the p53 Oligomerization Domain: Identification of a Folding Nucleus by Molecular Dynamics Simulations
Lillian T. Chong, Christopher D. Snow, Young Min Rhee, and Vijay S. Pande. Journal of Molecular Biology (2005)
- 18. Using path sampling to build better Markovian state models: Predicting the folding rate and mechanism of a tryptophan zipper beta hairpin
Nina Singhal, Christopher D. Snow, and Vijay S. Pande. Journal of Chemical Physics (2004)
- 17. Simulations of the role of water in the protein-folding mechanism
- 16. Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy
{Note: For the sake of organization these descriptions have been moved here:  /p470589-Folding_Home_Research_Papers.html#470589 and all future papers will be posted here: /p470589-Folding_Home_Research_Papers.html#470589 }
Science Papers 4.rar {(File size 2,523 Kb) Or individual .pdf's can be downloaded by clicking on the title on the papers page}
 
Red indicates the maximum Purple indicates the average
 
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seafsee
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Joined: Apr 02, 2004
Posts: 4920
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| Posted: Sat Apr 16, 2005 5:55 am Post subject: FAH client for BOINC |
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FROM: http://forum.folding-community.org/viewtopic.php?t=11772
| | Posted on 04-01-2005 11:29:35 am by Vijay Pande
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| Vijay Pande wrote: | For over a year, we have been working with David Anderson's group at Berkeley to develop a FAH client for BOINC. We have been analyzing whether it would be an appropriate platform to add, as an additional client for Folding@Home (much like Google Compute is an additional client), considering the many complex aspects of a FAH/BOINC port.
After much planning, developing, and testing, we are now at the point where we will soon start a public beta. There will be more news soon. For now, we wanted to simply make an announcement of the existence of the FAH/BOINC client. A more open beta test will be forthcoming in the next days to weeks.
Finally, I want to make it completely clear that the FAH/BOINC client is an additional client for FAH, and thus FAH is not "switching" to BOINC. The development of the FAH client will continue as our main client, and we will port features to BOINC as appropriate.
Our goal is to make it as easy as possible to contribute to FAH, and with an even larger group of donors, we would be able to tackle even more complex and challenging problems -- which is the reason for FAH in the first place. |
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| youngmin (Posted on 03-01-2005 03:13:57 am) wrote: | Hi, there...
We will release a new core (called QMD core, http://folding.stanford.edu/QMD.html for FAQ's) in a very controlled fashion (starting with adv team). This new core will use very large memory, so you won't get it unless you allow big WU.
Thank you!
Young Min |
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seafsee
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Joined: Apr 02, 2004
Posts: 4920
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| Posted: Tue May 02, 2006 3:51 pm Post subject: |
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New project description page
Posted on 04-02-2006 05:07:36 pm
| Vijay Pande wrote: | | FAH has had many projects studied and lots more to come. However, the allprojects page has gotten very big, so we've made a page to get information for specific projects. Links to both pages can be found at http://folding.stanford.edu/stats.html . Hopefully, this will help avoid long downloads. Also, the internal links to project pages in the stats have been updated to use the new project pages. |
QMD temporarily off line
Posted on 08-23-2005 11:11:13 am
| Vijay Pande wrote: | We are in the process of building new QMD projects. In order to do so, we need to complete our analysis of the existing QMD data -- the current QMD projects have gone quite a long time and built up a very nice data set -- so we have stopped assigning new QMD's as we analyze the existing data set. These projects have been running for almost 1 year, so we have a huge set to examine!
We expect the analysis to take at least a few weeks (and potentially longer, depending on what we find). The upshot will be that we will be moving to second stage QMD WU's, which is very exciting to us. Thanks to all who have contributed on QMD projects and we'll make an announcement on new QMD projects once we're further along. |
New FAQs
Posted on 01-29-2006 05:29:15 pm
| Vijay Pande wrote: | We have been beefing up the FAQs, which can be found here:
http://folding.stanford.edu/faq.html
what's especially new are FAQs on specific issues of interest to donors: configuration (esp for bonus point WUs)**, how the point system works, QMD, Gromacs, and others. |
** Note: I have already added this to our FAQ post.
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seafsee
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Joined: Apr 02, 2004
Posts: 4920
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| Posted: Thu Jul 27, 2006 4:00 pm Post subject: tinker servers |
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Some word on recent issues and discussions in our forum are talked about at the folding forum.
I have copied some of this below.
| mrm1957 wrote: | Can someone look into timeless tinker servers and get them refilled with WU's. Many of us are out of work and sitting idle or have switched over to other work
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| Professor Vijay S. Pande, PhD wrote: | Thanks. We are aware of this issue. We urge you to not choose timeless WU's unless you really need them, as we expect shortages from time to time. Only a small fraction of FAH science can be done with timeless WUs.
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_________________
Professor Vijay S. Pande, PhD
Director, Folding@Home Distributed Computing Project, and
Associate Professor of Chemistry and of Structural Biology, Stanford University
Bruce
Site Admin wrote: | The fundamental science of FAH requires deadlines, and there are very few projects that can be configured as deadlineless. When those servers run out of work, people just have to do something else. A 2.2GHz machine can easily meet the deadlines of standard WUs. Please reaconfigure your machine and remove the deadlineless selection. They are intended for very slow machines (say under 400 MHz) which cannot meet the deadlines and when faster matchines like yours drain the servers, nothing can be done. The servers are specifically designed NOT to assign WUs with deadlines because sending one of those WUs to a slow machine would simply cause duplicated work when it expires.
I can assure you that the servers will not run out of units with deadlines.
I don't see a problem with a WU that takes 2.5 days to complete compared to WUs that can be completed at 5 per week. The points for those longer WUs are higher, too. |
uncle_fungus
Site Moderator wrote: | All the server giving out tinker WUs are currently either empty, or out of commission.
However, timeless WUs are intended to be run specifically on machines that are too slow to meet the deadlines. Your Duron, Opteron and A64 are obviously capable of meeting the deadlines easily, thus you should not be folding timeless WUs.
It is well known that AMDs perform better on tinker WUs than intel processors do, but this does not imply that they perform worse on any other type of WU. |
This last post has a graph in it which can be found here specifically: http://forum.folding-community.org/viewtopic.php?p=138442#138442
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echo75
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seafsee
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echo75
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seafsee
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| Posted: Sat Jul 29, 2006 8:44 pm Post subject: |
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seafsee
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Posts: 4920
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| Posted: Thu Sep 21, 2006 8:06 pm Post subject: |
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No deadlineless Work Units
Posted on Wed Sep 20, 2006 7:10 pm by uncle_fungus
| Quote: | Currently the scientific research being carried out at Stanford means that deadlineless WUs are not required and are not being distributed.
Anyone who has set "Receive WUs with no deadlines" to YES in their client configurations will be affected by this issue.
- If your machines are capable of meeting deadlines, then you will need to reconfigure your clients to receive normal WUs. Once this alteration has been made to your configuration your client will continue as normal and download work from one of the many other servers.
- If your machine is incapable of meeting deadlines, it is suggested that if the machine is a dedicated folder, that you just switch it off, and wait until more deadlineless WUs are made available.
- If you download deadlineless WU for batching, or sneakernetting, you can do either of the above choices. Changing to normal WUs will mean more frequent moving of WUs between computers though.
The servers affected are 171.64.122.112, 171.64.122.120 and 171.64.122.133
Generally these servers are kept in working order, which means that if you still have uncompleted WUs that can still be returned, the servers should accept them and you will still receive credit for them.
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Stats Recredit
Posted on Wed Aug 23, 2006 11:46 am by Vijay Pande
| Quote: | | Due to an update in the server code, some of the servers were too strict in testing WU's upon receipt, leading to unnecessarily rejected WU's and lost points. We have fixed the server issue and we are now working on the recredits. This was fairly pervasive, so the recredits will take a little longer than I'd like, but we hope to get this done today or tomorrow. |
Inside the cell
Posted on Tue Jul 18, 2006 7:48 pm by Vijay Pande
Major new result, 40 papers so far for FAH
Posted on Fri Jul 14, 2006 8:38 pm by Vijay Pande
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seafsee
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| Posted: Sun Oct 29, 2006 9:29 pm Post subject: UPDATE: 20 Oct 2006 |
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NOTE: Where appropriate, the following will be used to designate an external link. -
 and/or | Code: | | [img]http://www.castlecops.com/zx/seafsee/815451354link.gif[/img] |
- ∞
| Code: | | [i][b][size=16][color=#000099]∞[/color][/size][/b][/i] |
You can CREATE AN ACCOUNT ∞ for easier access.
(http://forum.folding-community.org/profile.php?mode=register)
| Quote: | - GPU Core Update
Posted on Tue Oct 10, 2006 6:18 pm by Vijay Pande ∞
| Quote: | We have been examining the GPU Core and how it runs on donor machines. After some initial core problems, it appears that the code is working well for the most part (with just some cosmetic issues, which we are working on). Donors have had success with both the 6.5 and 6.10 ATI drivers and so we suggest that if one is giving problems, to switch to the other.
The primary issue now appears to be the CPU use of the GPU core. Due to how graphics drivers work in Windows, the CPU must poll to see if the GPU has completed. This polling is very CPU intensive (as the GPU does complete its work fairly quickly). We are working on a fix to this, but it is also likely that future GPU cores may use CPU power for scientific calculations which cannot be run on the GPU.
Thus, we are asking donors who run the GPU core to leave some CPU power (~1 core) available for GPU's to use. We need to compensate donors for this additional use of resources, so the points have been increased. The very idea of a GPU core and GPU software is new, so we are still working out what's the best way to handle these issues, but in general, we will of course award points based on the hardware used -- more hardware used, more points. As we develop the GPU core, the points may need to be changed (possibly up, especially if more CPU is used, possibly down if essentially no CPU is needed).
We'd also like to thank all the beta testers who have given us great feedback. It's still very early for our GPU core, but the future is already looking very bright. |
- Congratulations to Prof. Roger Kornberg
Posted on Wed Oct 04, 2006 6:44 pm by Vijay Pande ∞
| Quote: | Today, it was announced that Prof. Roger Kornberg in the Structural Biology Department at Stanford won the 2006 Nobel Prize in Chemistry. This truly a fitting honor for all the wonderful work that he has done. You can read more here:
http://mednews.stanford.edu/kornberg/ ∞ |
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NOTE: Related Discussion
Nobel Prize for Medicine - /t168204-Nobel_Prize_for_Medicine.html
| Quote: | - Getting close to the GPU beta launch
Posted on Sat Sep 30, 2006 5:43 pm by Vijay Pande ∞
| Quote: | The GPU beta launch will be on Monday Oct 2 in the afternoon (Pacific time). We have been doing extensive testing and, while all the bugs aren't worked out (this is a beta relase after all), there are no show stoppers so far and it's a good time to put this into a bigger release.
Just some heads up for people to keep in mind:
- The GPU code requires specific drivers and system software, so this will be a much more complex install than before (another reason for this being a beta release). Be prepared to potentially update your ATI driver version and/or Direct X version.
- At launch, we will only support X1900 class GPU's (X1900XT, X1900XTX, X1950, X1900GT), as they are the only GPUs which give reasonable performance with FAH. More GPU support will be forthcoming, starting with other ATI GPU's (most likely the X1800 and X1650), but we have no ETA on their support.
- People have been curious about the nature of the core in the GPU client. The GPU Gromacs core isn't a port of Gromacs, but rather we've taken key elements from Gromacs we need and enhanced them based on the unique capabities of GPU's. Thus, it's really a new and different core on the inside, but with wrapped Gromacs on the outside; the new core will be called Core_10. For example, Core_10 WU's can't correctly be run on non-GPU cores and vice versa (and thus it is impossible to run GPU WU's on non-GPU systems and vice versa). This enables some new and exciting science, but it's important to be clear that this isn't just a port. This is very similar to the inclusion of Gromacs in 2003 when FAH only ran Tinker. Gromacs' functionality is a subset of Tinker's, but Gromacs runs 20x to 30x faster than Tinker (for the parts we use Gromacs for). Since Gromacs wasn't a complete substitute for Tinker, we still use Tinker for certain key calculations. Similarly, the GPU core is faster than Gromacs, but on a limited (and somewhat augmented/altered) subset of Gromacs' capabilities.
We'll be giving the full scoop on Monday, but I wanted to try to give people some early warning so they know what to expect on Monday. This is definitely a BETA RELEASE, so don't expect something very polished. Also, we're preparing the final FAQ and HOWTO material and we will give more info as it makes sense to release it. I've even broken my own rules by releasing the info above, but I thought it was important as I want people who are interested in testing the beta to be prepared for all of what will be needed (which is unfortunately quite a bit, considering the need for driver updates, etc) to run the GPU client.
More info on Monday (and sorry, if you post questions below, I most likely won't answer until Monday -- sorry). |
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