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本帖最后由 金鹏 于 2015-5-28 07:17 编辑
加beta参数接9820-9827 通吃包
Moving GPU projects 9830-9831 to FAHDear all,
Here are two new projects, 9830 and 9831. They are refined versions of past projects 9810-9817 and 9820-9827. The science is the same as before:
===
Go big by going… small! We want to study really large proteins and protein complexes, maybe as large as ribosomes or ion channels in neurons. One possible way to reach this goal is to run computations for each part of a big complex separately, and then assemble the resulting models together. We think we know how to do so, but first we need to test our approach on simpler systems.
Insulin is a small protein used by the pancreas to signal to the whole organism whether to consume more glucose or not. Disruptions in the processes of secreting and sensing insulin lead to various diseases, including diabetes mellitus, metabolic syndrome and polycystic ovary syndrome. Insulin can form dimers (complexes consisting of two insulin molecules), hexamers (complexes of six insulin molecules) and even larger aggregates resembling those formed under Alzheimer’s, but only the monomer is physiologically active. In this project, we want to: (1) run computations for the insulin monomer and the insulin dimer; (2) use the model of the insulin monomer from step 1 and our new method to build a model of the insulin dimer; (3) compare the model of the dimer built by our new method (from step 2) with the model of the dimer obtained directly from the simulations for the dimer (from step 1), and see whether our new method works.
===
projects 9830 9831
number of atoms 19874 19932
base credit 19788 19862
Both projects:
Deadline 14.0 days, timeout 10.0 days, k-factor 0.75.
Only NVidia GPUs, Linux/Win
FahCore_18 version 0.0.4 (more details here: viewtopic.php?f=24&t=27683)
Thanks for folding 
Moving GPU projects 9830-9831 to ADVDear all,
Here are two new projects, 9830 and 9831. They are refined versions of past projects 9810-9817 and 9820-9827. The science is the same as before:
===
Go big by going… small! We want to study really large proteins and protein complexes, maybe as large as ribosomes or ion channels in neurons. One possible way to reach this goal is to run computations for each part of a big complex separately, and then assemble the resulting models together. We think we know how to do so, but first we need to test our approach on simpler systems.
Insulin is a small protein used by the pancreas to signal to the whole organism whether to consume more glucose or not. Disruptions in the processes of secreting and sensing insulin lead to various diseases, including diabetes mellitus, metabolic syndrome and polycystic ovary syndrome. Insulin can form dimers (complexes consisting of two insulin molecules), hexamers (complexes of six insulin molecules) and even larger aggregates resembling those formed under Alzheimer’s, but only the monomer is physiologically active. In this project, we want to: (1) run computations for the insulin monomer and the insulin dimer; (2) use the model of the insulin monomer from step 1 and our new method to build a model of the insulin dimer; (3) compare the model of the dimer built by our new method (from step 2) with the model of the dimer obtained directly from the simulations for the dimer (from step 1), and see whether our new method works.
===
projects 9830 9831
atoms 19874 19932
base credit 19788 19862
Both projects:
Deadline 14.0 days, timeout 10.0 days, k-factor 0.75.
Only NVidia GPUs, Linux/Win
FahCore_18 version 0.0.4 (more details here: viewtopic.php?f=24&t=27683) new GPU projects 9830-9831 for betaDear beta-testers,
Here are two new projects, 9830 and 9831. They are refined versions of past projects 9810-9817 and 9820-9827. The science is the same as before:
===
Go big by going… small! We want to study really large proteins and protein complexes, maybe as large as ribosomes or ion channels in neurons. One possible way to reach this goal is to run computations for each part of a big complex separately, and then assemble the resulting models together. We think we know how to do so, but first we need to test our approach on simpler systems.
Insulin is a small protein used by the pancreas to signal to the whole organism whether to consume more glucose or not. Disruptions in the processes of secreting and sensing insulin lead to various diseases, including diabetes mellitus, metabolic syndrome and polycystic ovary syndrome. Insulin can form dimers (complexes consisting of two insulin molecules), hexamers (complexes of six insulin molecules) and even larger aggregates resembling those formed under Alzheimer’s, but only the monomer is physiologically active. In this project, we want to: (1) run computations for the insulin monomer and the insulin dimer; (2) use the model of the insulin monomer from step 1 and our new method to build a model of the insulin dimer; (3) compare the model of the dimer built by our new method (from step 2) with the model of the dimer obtained directly from the simulations for the dimer (from step 1), and see whether our new method works.
===
projects 9830 9831
atoms 19874 19932
base credit 19788 19862
Both projects:
Deadline 14.0 days, timeout 10.0 days, k-factor 0.75.
Only NVidia GPUs, Linux/Win
Looking forward to your feedback! new GPU project 9830Dear testers,
This is a new project for beta-testing. It is a refined version of projects 9810-9817. The science is the same as before:
===
Go big by going… small! We want to study really large proteins and protein complexes, maybe as large as ribosomes or ion channels in neurons. One possible way to reach this goal is to run computations for each part of a big complex separately, and then assemble the resulting models together. We think we know how to do so, but first we need to test our approach on simpler systems.
Insulin is a small protein used by the pancreas to signal to the whole organism whether to consume more glucose or not. Disruptions in the processes of secreting and sensing insulin lead to various diseases, including diabetes mellitus, metabolic syndrome and polycystic ovary syndrome. Insulin can form dimers (complexes consisting of two insulin molecules), hexamers (complexes of six insulin molecules) and even larger aggregates resembling those formed under Alzheimer’s, but only the monomer is physiologically active. In this project, we want to: (1) run computations for the insulin monomer and the insulin dimer; (2) use the model of the insulin monomer from step 1 and our new method to build a model of the insulin dimer; (3) compare the model of the dimer built by our new method (from step 2) with the model of the dimer obtained directly from the simulations for the dimer (from step 1), and see whether our new method works.
===
18K+ atoms
base credit 20777
Deadline 14.0 days, timeout 10.0 days, k-factor 0.75.
Only NVidia GPUs, Linux/Win new GPU projects 9820-9827Hi,
That's me again. Here is a new series of projects for beta testing. They are analogous to the recent 981x projects, but differ in the conditions in which the protein is places: 981x were physiological conditions, and 982x are under conditions for recording spectra that our experimental collaborators decided to use. The description is the same as for 981x (to be edited when I get more feedback):
===
Go big by going… small! We want to study really large proteins and protein complexes, maybe as large as ribosomes or ion channels in neurons. One possible way to reach this goal is to run computations for each part of a big complex separately, and then assemble the resulting models together. We think we know how to do so, but first we need to test our approach on simpler systems.
Insulin is a small protein used by the pancreas to signal to the whole organism whether to consume more glucose or not. Disruptions in the processes of secreting and sensing insulin lead to various diseases, including diabetes mellitus, metabolic syndrome and polycystic ovary syndrome. Insulin can form dimers (complexes consisting of two insulin molecules), hexamers (complexes of six insulin molecules) and even larger aggregates resembling those formed under Alzheimer’s, but only the monomer is physiologically active. In this project, we want to: (1) run computations for the insulin monomer and the insulin dimer; (2) use the model of the insulin monomer from step 1 and our new method to build a model of the insulin dimer; (3) compare the model of the dimer built by our new method (from step 2) with the model of the dimer obtained directly from the simulations for the dimer (from step 1), and see whether our new method works.
===
I again have 81 runs with different number of atoms in the box (10K to 17K), and I grouped them into 8 projects with approximately the same number of atoms: project 9820 for 10K atoms, etc. Credits are also slightly different (benchmarked against comparable projects currently running on FAH):
project natoms, 10^3 base credit
9820 10000 12473
9821 11000 13129
9822 12000 13387
9823 13000 16185
9824 14000 17673
9825 15000 18385
9826 16000 20938
9827 17000 23599
Deadline 14.0 days, timeout 10.0 days, k-factor 0.75.
All GPU types (hopefully), Linux/Win.
Age restriction: only persons 21+ years old are allowed, because the system contains 20% of ethanol.
Looking forward to your feedback!
=========================================================
接,9810-9817 系通吃所有V7客户端支持的显卡,通吃WIN和LINUX 
看来还是没彻底解决GM卡跑CORE18包的效率问题,PPD比CORE17包低了不少
new GPU projects 9810-9817Hi people,
I'm a postdoc in the Pande group. This is my first project on FAH Here is the description:
===
Go big by going… small! We want to study really large proteins and protein complexes, maybe as large as ribosomes or ion channels in neurons. One possible way to reach this goal is to run computations for each part of a big complex separately, and then assemble the resulting models together. We think we know how to do so, but first we need to test our approach on simpler systems.
Insulin is a small protein used by the pancreas to signal to the whole organism whether to consume more glucose or not. Disruptions in the processes of secreting and sensing insulin lead to various diseases, including diabetes mellitus, metabolic syndrome and polycystic ovary syndrome. Insulin can form dimers (complexes consisting of two insulin molecules), hexamers (complexes of six insulin molecules) and even larger aggregates resembling those formed under Alzheimer’s, but only the monomer is physiologically active. In this project, we want to: (1) run computations for the insulin monomer and the insulin dimer; (2) use the model of the insulin monomer from step 1 and our new method to build a model of the insulin dimer; (3) compare the model of the dimer built by our new method (from step 2) with the model of the dimer obtained directly from the simulations for the dimer (from step 1), and see whether our new method works.
===
Projects 9810-9817, which are ready for beta-testing, are about insulin monomer under physiological conditions. Projects for a monomer under the conditions that were used by our collaborators - experimentalists, as well as projects for insulin dimer, are under preparation. In 9810-9817, I have 81 runs with different number of atoms in the box (10K to 18K), and I grouped them into 8 projects with approximately the same number of atoms: project 9810 for 10K atoms, 9811 for 11K atoms, etc. Credits are also slightly different (benchmarked against comparable projects currently running on FAH):
project natoms, 10^3 base credit
9810 10000 10940
9811 11000 10677
9812 12000 11282
9813 13000 14134
9814 14000 15526
9815 15000 17524
9816 16000 16757
9817 18000 16497
Deadline 14.0 days, timeout 10.0 days, k-factor 0.75.
All GPU types (hopefully), Linux/Win
Looking forward to your feedback!
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发表于 2015-3-13 10:47:50
