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[项目新闻] [BOINC] [化学类] mopac@home

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发表于 2010-4-27 19:52:06 | 显示全部楼层 |阅读模式
About mopac@home
mopac@home is a research project that uses Internet-connected computers to do research in quantum chemistry. You can participate by downloading and running a free program on your computer.

What is the use of mopac@home ?
The CADASTER project is an FP7-funded project by the EU that aims to provide a Decision Support System (DSS) to asses the hazard and risk for chemicals belonging to four compound classes. Therefore QSAR  models will be developed and validated, as the basic philosophy behind this project is minimizing animal testing, costs, and time. These models need a solid base, which is primarily founded by the knowledge of reliable structures for chemical compounds. The semiempirical quantum chemistry program MOPAC can, aside from several other important chemical qualities, provide such structures.

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参与人数 1基本分 +5 收起 理由
霊烏路 空 + 5

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发表于 2010-4-27 21:49:24 | 显示全部楼层
发表于 2010-4-27 21:59:33 | 显示全部楼层
本帖最后由 zyll 于 2010-4-27 22:19 编辑

程序名称 ep@home 6.07 预计计算时间00:54:26
实际用时20s左右,程序文件夹大小4M
头像被屏蔽
发表于 2010-4-27 23:06:12 | 显示全部楼层
提示: 作者被禁止或删除 内容自动屏蔽
发表于 2010-4-28 06:51:44 | 显示全部楼层
研究内容是什么?
得分情况呢?
发表于 2010-4-28 08:14:51 | 显示全部楼层
任务基本都很短,算了11个,最长不到400秒,最短<0.005秒
而且经常没WU,很明显,项目方在设置任务上还不妥善。。

Snap1.png
发表于 2010-4-28 12:34:44 | 显示全部楼层
本帖最后由 zyll 于 2010-4-28 12:38 编辑

BOINCStats怎么没有这个项目啊
为什么我得分这么少
mopaccredit.PNG
发表于 2010-4-28 19:31:54 | 显示全部楼层
本帖最后由 zyll 于 2010-11-22 17:43 编辑

项目wiki翻译好了,大致来说这个项目是通过MOPAC软件建模(QSAR模型)来研究化合物毒性的

http://www.equn.com/wiki/Mopac@home

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参与人数 1基本分 +30 维基拼图 +15 收起 理由
霊烏路 空 + 30 + 15

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发表于 2010-4-30 15:12:38 | 显示全部楼层
现在任务多了点,每CPU限制最多发送12个任务,
发表于 2010-4-30 15:16:06 | 显示全部楼层
本帖最后由 zyll 于 2010-4-30 15:18 编辑

一个WU几秒就算完了,基本没分
发表于 2010-7-2 13:02:20 | 显示全部楼层
最近mopac任务变多了,得分也比较稳定
发表于 2010-7-8 03:05:03 | 显示全部楼层
每天半夜貌似放任务,量很多
发表于 2010-10-12 16:35:19 | 显示全部楼层

[BOINC] [化学类] mopac@home

本帖最后由 zyll 于 2010-11-29 13:27 编辑

2010年9月27日
可以创建个人档案和加入团队了
September 27, 2010
Problems with creating profiles and group joining should be fixed now. Sorry for the delay, but this was caused by a cold that affected both our system admin and me.


2010年8月27日
管理员归来,开始解决站务问题
August 27, 2010
Our system admin just returned from vacation so on monday we will face the problems with the site configuration. Within the first days of the next week, both the joining of groups as the profile edditing should work. Nice weekend to all of you ... ;)


2010年8月24日
论坛建立
August 24, 2010
The long time requested forum is opened now. We have to say sorry to all users, that wanted to help us debug our server and had no possibility to contact us, but up to now, the 'homepage' was out of our focus, as we had a lot of other work with the server's workflow. Now the last stage of testing has begun, ... so please feel free to contribute any suggestions for improvement or criticism.

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参与人数 1基本分 +30 维基拼图 +6 收起 理由
霊烏路 空 + 30 + 6

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发表于 2010-11-22 16:41:00 | 显示全部楼层
告急!
计算了几个任务,只要一算就报错,根本不能计算
2010-11-22 16:39:10        mopac7        Started upload of 1117651_0078_bo_0_0
2010-11-22 16:39:12        mopac7        [error] Error reported by file upload server: nbytes missing or negative
2010-11-22 16:39:12        mopac7        Giving up on upload of 1117651_0078_bo_0_0: permanent upload error
发表于 2010-11-22 17:38:52 | 显示全部楼层
本帖最后由 zyll 于 2010-11-22 17:40 编辑

回复 14# lonelyghost_li


    刚刚算了几个任务,没问题啊,你重置一下试试

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参与人数 1基本分 +6 收起 理由
lonelyghost_li + 6 我很赞同

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