When the core 22 will be tested?

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Re: When the core 22 will be tested?

Postby ChristianVirtual » Fri Feb 09, 2018 1:23 am

In the year 2525, if man is still alive ... [/song from my music brain]
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Re: When the core 22 will be tested?

Postby foldy » Mon Mar 19, 2018 7:15 pm

I just did a performance comparison using FAHBench with OpenMM 6.2 (Core_21) vs. OpenMM 7.x (future Core_22).

Using Nvidia gtx 1080ti on Windows 7 64bit with FahBench 2.3.1 OpenCL.

Project 13782 Score
OpenMM 6.2: 245
OpenMM 7.2: 1387

Project 9415 Score
OpenMM 6.2: 208
OpenMM 7.2: 1415

So this is a speedup by 6 times.

I did not test AMD GPU yet.
Last edited by foldy on Tue Mar 20, 2018 4:07 pm, edited 1 time in total.
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Re: When the core 22 will be tested?

Postby kiore » Mon Mar 19, 2018 11:25 pm

I hope this new core translates into a major increase in the science done, still to be real world tested though.
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Re: When the core 22 will be tested?

Postby toTOW » Sat Mar 24, 2018 6:06 pm

That's quite impressive ... were you using OpenCL for both OpenMM builds ? Did you try to compile and to compare with a CUDA version of OpenMM 7 ?

Can you share the methodology so that we can try on our cards ?
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Re: When the core 22 will be tested?

Postby foldy » Sat Mar 24, 2018 7:48 pm

Hi toTOW, it may be a FAHBench issue were the benchmark simulation runs faster but the real work unit does not.
I would like to test CUDA too but the FAHBench only offers OpenCL or CPU. I guess because the FAhCore does only support OpenCL currently.
So I used only the OpenCL OpenMM for both old and new version and only on Windows, so maybe someone wants to test on Linux too.

Steps to reproduce:
1) Download FahBench http://fahbench.github.io/ and install
2) Create a copy of the FahBench folder and name one FahBench-6.2 and the other FahBench-7.1
3) Download OpenMM 7.1 from SimTK https://simtk.org/frs/?group_id=161 (you need to be registered to download)
4) From the OpenMM zip file extract \lib\OpenMM.dll to FahBench-7.1 folder
5) Delete content of FahBench-7.1\openmm folder and extract \lib\plugins\OpenMMCPU.dll and OpenMMOpenCL.dll to FahBench-7.1\openmm folder

In theory the FahBench-7.1 folder now has a FahCore_21 which runs with the OpenMM-7.1 runtime (aka FahCore_22).

a) Start FahBench-gui.exe from FahBench-6.2 folder and run benchmark on GPU
b) Start FahBench-gui.exe from FahBench-7.1 folder and run benchmark on GPU
[I had problems with the GUI in FAhBench-7.1 so I run both in cmd version.
Get the device and platform id from the GUI first. Then in cmd shell call:
FAHBench-cmd.exe --device-id 0 --platform-id 2 --workunit nav]

You can also copy a real work unit from folding@home to FahBench.
* e.g. C:\ProgramData\FAHClient\work\00\01 copy all files to C:\Program Files\FAHBench\workunits\MyWorkunit
* Copy the wu.json file from another FAHBench\workunits\xxx folder to FAHBench\workunits\MyWorkunit
=> Start FAHBench and now you can select WU MyWorkunit
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Re: When the core 22 will be tested?

Postby foldy » Sat Mar 24, 2018 9:03 pm

It was a benchmark issue!

I now could compile the FahBench 2.3.1 from source for OpenMM 7.x

Speed does not improve so much - no magic in new OpenMM 7.x :oops:

Sometimes you can replace dlls by a new version and sometimes this doesn't work.

Using Nvidia gtx 1080ti on Windows 7 64bit with FahBench 2.3.1 OpenCL compiled from source for OpenMM 7.x.

Project 9414 Score
OpenMM 6.2: 214
OpenMM 7.1: 258

Project 13782 Score
OpenMM 6.2: 248
OpenMM 7.1: 305

So this is 20% speed improvement in FAHbench OpenCL.

I could run CUDA in FAHbench now too.

Project 9414 Score
OpenMM 7.1 OpenCL: 258
OpenMM 7.2 CUDA: 275

Project 13782 Score
OpenMM 7.1 OpenCL: 305
OpenMM 7.2 CUDA: 324

So CUDA vs OpenCL would be another 6% speedup in FAHbench.

If you are interested I can share my build with you FahBench-2.3.1-OpenMM-7.2.1-with-CUDA-for-Windows.
Just send me a private message.
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