Docking at home and CUDA GPU ?


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Zarck

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Message 4648 - Posted 13 Dec 2008 23:53:36 UTC

http://setiweb.ssl.berkeley.edu/beta/cuda.php

it's possible for Seti ? and for Docking at Home ?

@+
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Message 4902 - Posted 27 Mar 2009 2:07:17 UTC

I'll be happy to contribute my GPU to this project. I'm hoping there will be a Docking application for Linux 32-bit architecture.

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Message 4934 - Posted 27 Apr 2009 1:25:24 UTC
Last modified: 27 Apr 2009 1:31:03 UTC

GPUs are rather difficult to rewrite the programs for; so far, I've only found two BOINC projects which have done it. The result, though, is much faster computing.

The one with objectives closest to those of Docking@Home is GPUGRID, so you might want to run that one as part of your projects list, at least until Docking@Home has a GPU version, if it ever does.

http://www.gpugrid.net/

If you'd prefer to avoid helping competing projects, though, you may prefer this one instead:

http://www.rechenkraft.net/yoyo/

I already have a GPU on my other machine that would be automatically available for Docking@Home if they ever generate any workunits ready to use it. The one for this machine is probably too old to be usable, though.

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Message 5373 - Posted 6 Sep 2009 4:49:48 UTC

Worth giving ATIGPU a look?

MilkywayATI is now working very well and with changes in the Boinc 610.3 client, Ati now behaves as you'd expect from any Cuda application.


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Message 5407 - Posted 22 Sep 2009 19:41:46 UTC
Last modified: 22 Sep 2009 19:48:57 UTC

Hi, quite new to DOCKING, started with SETI, GPUgrid; EINSTEIN; Leiden Classical and LHC, which had no work since april or so.
I see, my RAC has risen a lot. Do the WU's get payed better? :)

More and more projects are starting to use the potential of todays graphic cards.
nVIDIA ported CUDA for SETI and group SETI users developed a faster science app.
.


There are more projects, (trying to) use CUDA . If it's difficult to port CUDA for a project specific science program.

AQUA uses ATI, if I'am correct.
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Message 5413 - Posted 24 Sep 2009 11:43:14 UTC - in response to Message ID 5407 .

Hi, quite new to DOCKING, started with SETI, GPUgrid; EINSTEIN; Leiden Classical and LHC, which had no work since april or so.
I see, my RAC has risen a lot. Do the WU's get payed better? :)

More and more projects are starting to use the potential of todays graphic cards.
nVIDIA ported CUDA for SETI and group SETI users developed a faster science app.
.


There are more projects, (trying to) use CUDA . If it's difficult to port CUDA for a project specific science program.

AQUA uses ATI, if I'am correct.


Sorry Fred, but AQUA does not use ATI (CAL). It did have an CUDA application but has now stopped running it as the use of multiple CPUs were more efficient and ran the jobs faster.
Milkyway uses ATI (CAL) and CUDA, Collatz uses ATI (CAL) and CUDA as well.
GPUGRID, SETI, Einstein all have CUDA applications and there are a few more projects that are getting applications rewritten to also use CUDA and maybe ATI (CAL).

The credit awarded was increased to make it more inline with other projects as it has been a consistent low payer for awhile, it coincided with a new fixed credit system.

Conan.
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Message 5421 - Posted 28 Sep 2009 0:44:42 UTC

The last time I checked, both yoyo@home and The Lattice Project had essentially stopped their efforts to use GPUs.

Superlink@Technion is planning to try it at some time in the future, but it's been months since they offered a significant number of workunits of any kind.

Rosetta@home made some effort before deciding that the amount of memory per processor on graphics boards was far too small to allow porting the programs they already have.

GPUGRID is still very active with GPUs (CUDA), and checking into how hard it is to add ATIs and perhaps other OpenCL devices. They seem to be running low on money, though.

I suspect Ibercivis might be trying it, but I can't read Spanish or Portuguese well enough to tell.

World Community Grid looks like they do not plan to be the origin of any such workunits, but are probably willing to be the set of servers that interfaces between participants and the actual origin of such workunits.

A number of other projects appear to be putting off any decision until good compilers are available for whatever computer language they already use (often C++) into at least one type of graphics boards.

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Message 5445 - Posted 14 Oct 2009 0:16:59 UTC
Last modified: 14 Oct 2009 0:24:04 UTC

Towards Large-Scale Molecular Dynamics
Simulations on Graphics Processors

http://gcl. cis.udel.edu /publications/conferences/009BiCOB/paper.pdf


p.s.: As Yoyo is a transport vehicle for 4 other (non-BOINC) projects, their GPU support depends on the GPU support of the science projects. Distributed.net does have a CUDA client but afaik. that's for rc5, not for ogr


p.p.s.: drugdiscoveryathome has a CUDA client for one of their applications

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Message 5452 - Posted 15 Oct 2009 4:21:06 UTC - in response to Message ID 5445 .
Last modified: 15 Oct 2009 4:28:28 UTC

Towards Large-Scale Molecular Dynamics
Simulations on Graphics Processors

http://gcl. cis.udel.edu /publications/conferences/009BiCOB/paper.pdf


This best I can tell, they have a paper on their plans to offer GPU workunits in the future, with no signs that they have actually started offering any of them now.

p.s.: As Yoyo is a transport vehicle for 4 other (non-BOINC) projects, their GPU support depends on the GPU support of the science projects. Distributed.net does have a CUDA client but afaik. that's for rc5, not for ogr


I already have an account at Yoyo as well, and have seen no signs that they even list rc5 among the 4 sub-projects they are currently offering workunits for, at least on the English version of their web pages. My guess is that Yoyo's wrapper program isn't able to handle GPU applications yet.

p.p.s.: drugdiscoveryathome has a CUDA client for one of their applications


I happen to have an account there as well (just started in the last few days), and if I've gotten any GPU workunits from them yet, they made no effort to make it clear that they were GPU workunits. Also, they still call themselves a pre-alpha BOINC project, and the rather high error rate for their workunits should convince most people to agree with that. For example, a large percentage of them include input files that don't even download correctly.

I've already tried the The Lattice Project project. Even though they have an application named GARLI-GPU, it appears to actually be a CPU-only type of workunit intended to gather some information about which of the participating computers can support GPU use, and any plans to turn it into an application that actually uses GPUs to do anything useful appear to have been abandoned there, at least until Nvidia and/or ATI offer better software support, such as a compiler for the computer language that project is already using. I'll pass them the information on Nvidia's plans to offer GT300 chips and some new compilers soon, and ask them to check if the new compilers will work for the Nvidia boards already available.

The Rosetta at home and Superlink@Technion projects also appear to have abandoned any efforts to offer a GPU version for now; I'll make sure both know about the new compilers as well.
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Message 5489 - Posted 28 Oct 2009 0:12:21 UTC

Yes, the group is working in porting MD to GPU but it will take some time before we get to a point of doing docking on GPU. It's in our plans but for a long term period of time.

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Message 5596 - Posted 22 Dec 2009 19:12:42 UTC

Hi all!

I am ready to be an alpha tester for CUDA application. Hope to see it in action soon!
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Message 5646 - Posted 15 Jan 2010 15:41:38 UTC
Last modified: 15 Jan 2010 15:48:50 UTC

Have you checked if Harvard offers any online courses that would give me sufficient access to the source code for the CHARMM program you use to have a try at using my years of Fortran experience to make the changes needed to allow it to be compiled using a Fortran to CUDA compiler, in order for you to be ready to offer suitable workunits at least for Nvidia GPUs?

Also, are they interested in me sending you any CUDA compiled versions of the program, so that you can help with alpha testing of them?

I've seen no sign of a similar AMD/ATI Fortran compiler yet; until one is available, I don't expect to be able to offer any similar help for AMD/ATI GPUs.

Anyone want to hunt for any Fortran to OpenCL compilers, which would give some chance of translating it to a computer language for which both Nvidia GPU and AMD/ATI compilers are already available?

Also of interest - drugdiscoveryathome has now made it clear that although they have a version of their program intended for Nvidia GPU workunits, they are postponing any efforts to actually offer workunits for it, while they work on updating their CPU version.

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Message 5668 - Posted 20 Jan 2010 16:08:44 UTC
Last modified: 20 Jan 2010 16:18:37 UTC

I did a Google-equivalent search for Fortran to OpenCL compilers, and saw no sign that anybody is even mentioning one in progress on their web sites yet.

However, during this, I did find that Intel is working on an OpenCL compiler for their Larrabee GPU - one that BOINC does not support any use of yet.

http://software.intel.com/en-us/forums/showthread.php?t=66439

Also, there's now a subroutine library related to the CHARMM force fields that uses GPUs:

https://simtk.org/home/openmm

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Message 6558 - Posted 3 Feb 2012 0:26:01 UTC

GPUGRID is now trying to get started using AMD GPUs. However, there's a good chance that they will not be able to use any older than the very new HD 7xxx series (first released earlier this year). It seems that it's the first series AMD has released that included some hardware features they need.

POEM@HOME is now using some AMD GPUs. An Nvidia equivalent planned but not ready yet. OpenCL based.

World Community Grid is planning a GPU application for one of their subprojects "soon". Very few details available yet.

I've found a Fortran to CUDA compiler:

http://www.pgroup.com/resources/cudafortran.htm

Not very cheap, and I'm not sure if the licensing if compatible with BOINC use.

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Message 6559 - Posted 3 Feb 2012 14:17:49 UTC

I hope I will be able to use this: "CAL AMD Radeon HD 6x00 series (Turks) (1024MB) driver: 1.4.1646"

John
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Message 6619 - Posted 25 Mar 2012 11:42:40 UTC

Are the plans to have a GPU application someday still on? Wish there was OpenCL app eventually.

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Message 6689 - Posted 7 Apr 2012 22:01:47 UTC

Not in our lifetime. :P

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Message 6690 - Posted 8 Apr 2012 10:58:28 UTC

ATI support wouldnt be to bad too :P

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Message 6720 - Posted 4 May 2012 11:38:56 UTC - in response to Message ID 6558 .

I hope I will be able to use CAL AMD Radeon HD 6x00 series (Turks) (1024MB)

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Message 6721 - Posted 4 May 2012 15:34:33 UTC - in response to Message ID 5489 .

Yes, the group is working in porting MD to GPU but it will take some time before we get to a point of doing docking on GPU. It's in our plans but for a long term period of time.


Post from admin - 28 Oct 2009!!!
I think 918 days is enough to tell us something new.....
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Message 6723 - Posted 5 May 2012 17:48:50 UTC

For those that keep asking about doing Docking using GPU there is an alternative project that is working similar science - GPUGRID.

I run Docking on CPU with GPUGRID on GPU. Why not try that?

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Message 6734 - Posted 10 May 2012 14:22:04 UTC - in response to Message ID 6723 .

Hi guys,

Thanks for the interests in D@H with the GPU project, the student that was working on the project has left the group, so the progress is a little bit slow, but we are adjusting and recruiting new students for the project. Hopefully, we can be back on track soon!! We will keep you posted!

Thanks,
Boyu

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Message 6735 - Posted 10 May 2012 14:51:30 UTC

Hmm what we need is a programmer guru to spend a month or two working on it with the docking guys and gals. Anyone know anyone who fancies doing something good for science, for free?

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Message 6736 - Posted 10 May 2012 15:32:20 UTC - in response to Message ID 6735 .

Hmm what we need is a programmer guru to spend a month or two working on it with the docking guys and gals. Anyone know anyone who fancies doing something good for science, for free?


I might, AFTER I get information on which computer languages are involved and make sure that I have studied those computer languages. It will have to be telecommuting rather than in person, though.
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Message 6737 - Posted 10 May 2012 17:17:07 UTC - in response to Message ID 6736 .

Hmm what we need is a programmer guru to spend a month or two working on it with the docking guys and gals. Anyone know anyone who fancies doing something good for science, for free?


I might, AFTER I get information on which computer languages are involved and make sure that I have studied those computer languages. It will have to be telecommuting rather than in person, though.


Both CUDA (nvidia) and OpenCL (ATI/nvidia/CPU) programming is typically done in C/C++, although there are interfaces to allow programming in other languages. But C/C++ is the main language.

Despite using a familiar language, there's a bit of a learning curve involved for both architectures.

If you want to go all-out nuts for the fastest execution it's possible to program the CUDA (nvidia) cards in their native assembly language.

I have no idea what the Docking application is written in.

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Message 6738 - Posted 10 May 2012 22:15:27 UTC - in response to Message ID 6737 .
Last modified: 10 May 2012 22:17:32 UTC

(duplicate)

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Message 6739 - Posted 10 May 2012 22:16:05 UTC - in response to Message ID 6737 .

Hmm what we need is a programmer guru to spend a month or two working on it with the docking guys and gals. Anyone know anyone who fancies doing something good for science, for free?


I might, AFTER I get information on which computer languages are involved and make sure that I have studied those computer languages. It will have to be telecommuting rather than in person, though.


Both CUDA (nvidia) and OpenCL (ATI/nvidia/CPU) programming is typically done in C/C++, although there are interfaces to allow programming in other languages. But C/C++ is the main language.

Despite using a familiar language, there's a bit of a learning curve involved for both architectures.

If you want to go all-out nuts for the fastest execution it's possible to program the CUDA (nvidia) cards in their native assembly language.

I have no idea what the Docking application is written in.



I've taken a C++ course lately, am now studying C from a book, and am planning to go on to CUDA and OpenCL later, so I think that I'm approaching being ready. I've done some assembly language programming, but at least 20 years ago; I'm in no hurry to try that again.

I have three computers available, all running 64-bit Windows. No experience in Linux at all. I do have Cygwin installed, which tries to emulate Linux under Windows.

Where can I download the source code for the Docking application so I can check for anything else I need to study before starting? Are there any license restrictions on who can see the source code?
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Message 6745 - Posted 14 May 2012 21:59:47 UTC
Last modified: 14 May 2012 22:01:18 UTC

I have 2 ATI 4670 1 GB DDR3-1333 in CrossFire (only 32-bit floating point), I have joined but I'll contribute my GPUs only, my CPU is for WCG. SO if you ever have a stable, efficient and optimized GPU for CAL/OpenCL 1.0b (beta - 32-bit floats) , which is the best my ATI cards can do, I'll be happy to help you.

I use Win7 Pro 64-bit, 8GB RAM DDR3-1600.

Cheers.

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Message 6746 - Posted 15 May 2012 7:52:39 UTC - in response to Message ID 6734 .

Hi guys,

Thanks for the interests in D@H with the GPU project, the student that was working on the project has left the group, so the progress is a little bit slow, but we are adjusting and recruiting new students for the project. Hopefully, we can be back on track soon!! We will keep you posted!

Thanks,
Boyu


Are you interested in comunity help?
Can you publish your source code?
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Message 6775 - Posted 11 Jul 2012 8:49:43 UTC - in response to Message ID 6746 .

Are you interested in comunity help?
Can you publish your source code?


Not interested?
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Message 6776 - Posted 11 Jul 2012 15:19:10 UTC

Are you interested in offering an online course in the appropriate GPU programming language so that an online student can try to produce a GPU version?

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Message 6777 - Posted 12 Jul 2012 8:07:30 UTC - in response to Message ID 6776 .

Are you interested in offering an online course in the appropriate GPU programming language so that an online student can try to produce a GPU version?


There are many people that know how to write gpu code (student, pro, etc), ATI and Nvidia help developers and there is a lot of resouces on the net (http://www.multicoreinfo.com/2009/08/parprog-part-9/ for example), but without source code , it's impossible to create any gpu app
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Message 7131 - Posted 22 Jul 2013 15:48:32 UTC - in response to Message ID 6734 .

Hi guys,
Thanks for the interests in D@H with the GPU project, the student that was working on the project has left the group, so the progress is a little bit slow, but we are adjusting and recruiting new students for the project. Hopefully, we can be back on track soon!! We will keep you posted!

Thanks,
Boyu


May 2012
News???
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Message 7132 - Posted 22 Jul 2013 16:37:06 UTC

I've now finished one online CUDA course and started another. I'm looking for an online OpenCL course, but haven't found one yet.

Two questions that may determine whether I can work on a GPU version:

1. Are there any restrictions on distribution of the source code to those for which working on campus is impractical?

2. Does the source code use pthreads, or any other threading library?

Another question that may determine whether a GPU version is useful at all:

Do large parts of the program have sections that can be done in any order since they never write to each other's variables?

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Message 7137 - Posted 22 Jul 2013 23:24:49 UTC

A GPU version of CHARMM already exists, but does not appear to be in use at Docking@Home.

http://www.charmm.org/

Could we have an explanation of why it's not used yet?

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Message 7146 - Posted 28 Aug 2013 10:19:41 UTC - in response to Message ID 7137 .

Could we have an explanation of why it's not used yet?


Because Docking are using a 5-years-old version of Charmm....
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Message 7212 - Posted 28 Jan 2014 16:20:26 UTC

The team continue to publish paper about gpu
http://gcl.cis.udel.edu/publications.php

But no gpu on Docking@home :-(

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Message 7214 - Posted 31 Jan 2014 23:41:20 UTC - in response to Message ID 7212 .
Last modified: 31 Jan 2014 23:43:55 UTC

The team continue to publish paper about gpu
http://gcl.cis.udel.edu/publications.php

But no gpu on Docking@home :-(

I suppose it's all because this project's team is way too small, henceforth it wouldn't be possible for them to process such amount of results - basically humans are the bottleneck here :P
Also remember that this server sometimes barely can handle the CPU work units throughput. Poof, another bottleneck.
I suppose this project just has a really low priority @ udel. Feels more like some side-project that allows them to show-off like "look, we're doing these things, yeah 'important' research and distributed computing!", and I'm not bashing the project team here, rather their superiors/public organisations funding them.

Message boards : Number crunching : Docking at home and CUDA GPU ?

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