[新项目] [化学类] QMC@home
全称：Quanten Monte Carlo at Home主页：http://qah.uni-muenster.de
中文介绍：http://boinc.equn.com/projects/qmc.htm
Reactions between molecules are important for virtually all parts of our
lives. The structure and reactivity of molecules can be predicted by Quantum
Chemistry, but the solution of the vastly complex equations of Quantum Theory
often requires huge amounts of computing power. In our project we want to
raise the necessary computing time to further develop the very promising
Quantum Monte Carlo (QMC) method for general use in Quantum Chemistry.
QMC@HOME makes use of the QMC program Amolqc by Lüchow et al
http://www.ipc.rwth-aachen.de/luechow/
and (of course) the BOINC PRC middleware
http://boinc.berkeley.edu/
and is funded by the Sonderforschungsbereich 424
'Molecular Orientation and its Functions in Chemical Systems' established by the Deutsche Forschungsgemeinschaft
http://www.uni-muenster.de/Chemie.oc/sfb.html
目前还是测试阶段，但已经可以注册新用户。 量子化学方面的，本人基本不懂，应该算是基础研究：）
欢迎加入Team China：） 晕了....跑第一个任务大概才10分钟,发现计算程序的虚存占用为780M!!!...#$^&&^#$ 呵呵，这个应该不是程序的问题，很多数值计算确实很消耗内存的：）
现在一个都没算完，碰到的小问题是客户端的一些项目信息，比如项目名称、计算程序名称之类的显示不完全 呵呵～等有钱再买新机子再说吧～^_^ 算完第一个任务包了，好像也是像Rosetta@home那样直接给分的，不用经过3个用户取中间分数的过程。不过因为没法在网站上看到任务包的详细情况，并不确定。 翻阅了点资料，写了个介绍：
http://boinc.equn.com/projects/qmc.htm
这个项目以后还有屏幕保护的，算是大项目啦！ 可能确实是测试程序的bug。
我上回算第二个任务包的时候虚存占用大概不到500M，而昨天算的第三个时的虚存占用才30M出头，这样还比较好接受：）
引用 Youth 在 2006-3-2 11:41 PM 时的帖子:
晕了....跑第一个任务大概才10分钟,发现计算程序的虚存占用为780M!!!...#$^&&^#$
General issues:
QMC@HOME workunits have time, memory and diskspace requirements that are related to the size of the calculated systems. More demanding workunits will of course give accordant higher credit.At the moment our workunits last 4-48 hours on a 2400 MHz system, we further work on our algorithms to get smaller workunits for a given system size. We will not distribute workunits which last longer than 3 days on a 2400 MHz system.
任务包在主频为2.4G的计算机上的运行时间一般在4到48小时之间。
Input files are also related to system size, at the moment workunits are smaller than 1 MB. We will not distribute workunits bigger than 10 MB.
目前的任务包都不超过1兆，以后也不会超过10兆。
Our deadlines are (roughly) 2 weeks or 10 times the CPU time on a 2400 MHz System (whatever is higher).
上报期限一般是两个星期或十倍于任务包在主频为2.4G的计算机上的运行时间。
We have variable checkpointing. At the moment we check after every 10 percent progress, we plan to checkpoint more often after about every 10 minutes.
现在的保存间隔是计算进度中的10个百分点。以后大概是每10分钟保存一次。
As our project is in alpha test status we constantly adjust our plans to what is possible. Therefore some of the above may change in beta or production phase.
Time to completion numbers are only a guess on how long a workunit lasts, these numbers are constantly updated, but will almost always be to high. You can get a very good estimate of how long one of our workunits last, if you derive it from used CPU time and percent progress.
剩余计算时间只是一个大概的估计。
We give out credits according to the standard BOINC system (see here for details), please do not try to misuse the credit system (it is easy for us to find out and reset credit values).
请不要作弊！毕竟对我们来说要查出作弊行为并将其积分清零都是很容易的。
目前的任务包类型及大致的计算时间
http://qah.uni-muenster.de/pics/a.pngAdenine
Name: adna CPU time guess: 4 hours
Name: padna CPU time guess: 6 hours
http://qah.uni-muenster.de/pics/t.png
Thymine
Name: tdna CPU time guess: 4 hours
Name: ptdna CPU time guess: 6 hours
http://qah.uni-muenster.de/pics/st.png
Adenine and thymine in stacked arrangement
Name: stdna CPU time guess: 30 hours
Name: pstdna CPU time guess: 48 hours
http://qah.uni-muenster.de/pics/wc.png
Adenine and thymine in Watson/Crick arrangement
Name: wcdna CPU time guess: 30 hours
Name: pwcdna CPU time guess: 48 hours 这个项目太恐怖了，我的第一个任务包算了 28 个小时了，才 20 % 刚过一点点，而且已经过期了，这个包的时间限制是今天早上 8 点多的。没办法，直接“终止”掉。然后“禁止下载新任务”。这样的项目太过分了。 呵呵，看来测试阶段的项目还是应该谨慎参加：） 我的情况似乎好一些。 这个项目确实太过分了。
对志愿者说“请不要作弊！毕竟对我们来说要查出作弊行为并将其积分清零都是很容易的”，晕倒。
访问它的猪页，居然有20多次cookie，太过分了，俺只好彻底禁止
