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Message boards : Number crunching : What are requirements for Quantum chemistry?

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Tom
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Message 61715 - Posted: 25 Aug 2024 | 8:12:49 UTC

I think it should be easier to find the requirements for each project. The search function for forum doesnt work and noone is posting in News forum section.

I have windows, but could possibly install linux in WM. But i have a 3060 Nvidia without Tensor cores. Also it does not support FP64.

I also had to turn off a couple of project because they gave me workunit i couldnt complete. ACEMD 3 works fine.

Should i bother setting up linux?
And can we have project requirements easy accessable pls?

Ian&Steve C.
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Message 61718 - Posted: 25 Aug 2024 | 13:17:53 UTC - in response to Message 61715.

the only requirement really is that you have Pascal or newer GPU. (GTX 1000 series) and your OS is Linux. There is no Windows app as one of the required pieces of software the app needs is only available for Linux. installing in a VM will not work. it's been tried. you need to install natively. you can dual boot your system or install Linux on a second hard drive, but a VM or WSL will not work.

VRAM size isnt a hard requirement, but some work units will use up to about 16GB. Personally i wouldn't use anything with less than 12GB VRAM. even 12GB cards will get some errors from running out of VRAM.

the 3060 DOES support FP64, it's just slower. but it will crunch just fine. a 3060 also DOES have tensor cores. I'm not sure where you got that information.

RTX 3060:
FP64 - 199 GFlops
Tensor Cores - 112
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Message 61723 - Posted: 25 Aug 2024 | 23:03:54 UTC

I have never loaded or used any form of Linux - BUT - if it allows me to try something new.....

Ian&Steve C. - please consider my unfamiliarity with the software - what would be your suggestions of Linux OS? There seems to be a few "varieties" out there!

Tim aka Farscape
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Message 61725 - Posted: 26 Aug 2024 | 1:27:38 UTC - in response to Message 61723.

I like Ubuntu. It’s well supported and there are guides for just about anything.
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Message 61726 - Posted: 26 Aug 2024 | 2:26:47 UTC

The GUI for ubuntu is funky. I like Linux Mint, which is based on Ubuntu, I think. But the GUI is more familiar to windows users, IMO. Either will work just fine.
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Message 61727 - Posted: 26 Aug 2024 | 4:22:20 UTC

Thanks to both to you for responding!

I am in the process of building a storage server out and Intel X99 components that won't run Windows 11 (per employer security directions). Need a used 3060 / 3070 / 3080 GPU to finish the build.

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Message 61729 - Posted: 26 Aug 2024 | 7:28:09 UTC

Thanks for replies, need to aim for more workunits for ACEMD 3 then :)

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Message 61750 - Posted: 28 Aug 2024 | 16:33:16 UTC - in response to Message 61727.

Thanks to both to you for responding!

I am in the process of building a storage server out and Intel X99 components that won't run Windows 11 (per employer security directions). Need a used 3060 / 3070 / 3080 GPU to finish the build.



A TPM module might be available for your x99 motherboard which would fulfill the requirements to run windows 11 if you really needed it.

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Message 61752 - Posted: 28 Aug 2024 | 17:44:48 UTC - in response to Message 61750.

I tried TPM modules with no success. I HAD 4 XEON chipped towers - I boohooed when I sent them to new homes!

I kept 1 to experiment with Linux. Thanks for the thought!

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Message 61753 - Posted: 29 Aug 2024 | 6:15:34 UTC - in response to Message 61750.

A TPM module might be available for your x99 motherboard which would fulfill the requirements to run windows 11 if you really needed it.

Everyone can easely disable annoying "requeerments" for Desktop Windows versions by Rufus, for example.
Or use Server or IoT versions, which have not such "requeerments" )

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Message boards : Number crunching : What are requirements for Quantum chemistry?

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