Zephyr and NVidia GPU

OpenMM Zephyr provides a visual application for running GPU-accelerated molecular simulations.
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Mohd Ismail
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Zephyr and NVidia GPU

Post by Mohd Ismail » Thu Mar 11, 2010 7:42 pm

What are possible circumstances that would make Zephyr revert to using CPU instead of the GPU? I set Zephyr to run on GPU 10 times, and 9 of those runs it reverted to CPU. Any ideas?


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Christopher Bruns
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RE: Zephyr and NVidia GPU

Post by Christopher Bruns » Thu Mar 11, 2010 8:24 pm

Hmmm. That's definitely odd. Do the cuda sdk test programs such as deviceQuery still report a cuda-capable GPU?

What kind of computer is this on?

Sometimes a GPU can get kind of grumpy and stop responding. Shut down the computer, unplug it, replug it, and restart. See if that helps.

Recently a Mac user found that cuda works when the laptop is disconnected from an external monitor, but not when the monitor is connected.

In any case, if you make any progress, please report back to this forum.

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Mohd Ismail
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RE: Zephyr and NVidia GPU

Post by Mohd Ismail » Fri Mar 12, 2010 10:28 am

SDK test programs all reported PASSED. VMD also sees the GPU fine. I'm running this on Windows 7 x64 with NVidia GTX 260M.

Certainly will report back if any progress made. If there's a tool that will help check the step by step execution, it will certainly help. I haven't done any real programming in a while.

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Armand Tepper
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RE: Zephyr and NVidia GPU

Post by Armand Tepper » Sat Mar 27, 2010 7:50 am

I am having exactly the same problem: when I try to use cuda in zephyr, it reverts back to standard cpu calculation. All SDK tests pass so the cuda install seems fine. I am also running on win 7 x64 + nvidia GTX260M (intel Q8200). Tried many things already but to no avail.

Hope someone can help!

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Armand Tepper
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RE: Zephyr and NVidia GPU

Post by Armand Tepper » Sat Apr 24, 2010 12:21 am

An update to my previous post. Since I really want Zephyr running, I installed Ubuntu Linux 32 on my machine (next to win 7 64). Everything in linux works fine, including the cuda test programs in the SDK. Yet, when I try to run a Zephyr cuda simulation, I get exactly the same behaviour as with my windows 7 install: Zephyr reverts to CPU calculation. How can it be that on two different operating systems I get the same problem? I scanned the simulation logs for cuda related problems but did't find anything. Also looked for cuda related settings in the mobo bios but didn't find anything.

Help would be very much appreciated!

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Jelmer Cnossen
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RE: Zephyr and NVidia GPU

Post by Jelmer Cnossen » Wed May 26, 2010 12:13 pm

Same here.
I am also running Win 7 64 bit, and tried Zephyr on both 9800 GTX and a GTX 470. It reverted back to CPU in both cases.

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Dan Gurnon
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RE: Zephyr and NVidia GPU

Post by Dan Gurnon » Thu May 27, 2010 8:36 pm

Same here. Win-7 64 bit, and Vista 64-bit. 9600 GT and Quadro 380. Both reverted back to CPU. Cuda test passes.

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Maxim Kondratiev
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Re: RE: Zephyr and NVidia GPU

Post by Maxim Kondratiev » Tue Sep 20, 2011 2:43 am

dgurnon wrote:Same here. Win-7 64 bit, and Vista 64-bit. 9600 GT and Quadro 380. Both reverted back to CPU. Cuda test passes.
Same situation. Ideas or solutions?
===
Since the last build Zephyr has passed more year - when to wait the new version, with OpenMM 3.1.1 or newest? Can you make 64-bit windows Zephyr? Max.

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