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Message boards : Frequently Asked Questions (FAQ) : Operating System requiired for "Quantum Chemistry Computations for GPU"

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Billy Ewell 1931
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Message 61440 - Posted: 1 Apr 2024 | 15:17:26 UTC

Am I correct that a LINUX operating system (only) is required to process the "Quantum Chemistry Calculations on GPU" tasks?

I have two Windows 11 machines with i7 12700 processors along with Nvidia RDX 3060 and 3080 GPUs and this 92+ year-old brain is not prepared to handle the myriad of instructions required to install and driver update the Linux OS.

Ian&Steve C.
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Message 61441 - Posted: 1 Apr 2024 | 15:24:07 UTC - in response to Message 61440.

Am I correct that a LINUX operating system (only) is required to process the "Quantum Chemistry Calculations on GPU" tasks?

I have two Windows 11 machines with i7 12700 processors along with Nvidia RDX 3060 and 3080 GPUs and this 92+ year-old brain is not prepared to handle the myriad of instructions required to install and driver update the Linux OS.



Yes. Linux is required. one of the core pieces of this application is not available for Windows and the devs are not sure how to (or if it's possible to) port this to Windows since the devs of that core piece don't even have any Windows build/use instructions.

they did put up a code bounty for someone more knowledgeable to try to port the code to windows, if there's someone skilled enough to manually port it.

see here: https://github.com/gpugrid/gpugrid/issues/1
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Billy Ewell 1931
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Message 61442 - Posted: 1 Apr 2024 | 15:49:52 UTC - in response to Message 61441.

Thank you warmly; and yes I remember you two well.
Bill

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Message 61444 - Posted: 3 Apr 2024 | 8:40:52 UTC

Wouldn't it be handy to have someone around like John Carmack who is good at hand assembling stuff in assembler. tbh this reminds me of a conversation I had with someone decades ago when in college. He had actually been a NASA engineer for 11 years, and at the time I was in college. But he was giving me tips/pointers, along with suggestions on what he'd do different if he had it to do all over again. One of the problems he mentioned is that you get pure hardware people, and pure software people, but fewer who understand the system. Problem is, people run systems and Intel blaming Microsoft, and vice versa when the 2 aren't playing nice together is seldom helpful. So as an engineer, he was telling me if he had it to do over again, as an engineer, he'd learn more coding and C++ specifically (though I gather he probably did know Fortran. he was in college in the 1950s). End result, fewer can write device driver code (big money there), or the BIOS to the point motherboard companies often can find only 1 employee with no one to double check their work if they set a special purpose register off a bit throwing the hardware into an indeterminate state.

Actually what he was hinting at, would be someone who could take a piece of code like this, taking a broad systems approach, and work the problem.... He was tipping me off tbh, on what to study to be in high demand....
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Message boards : Frequently Asked Questions (FAQ) : Operating System requiired for "Quantum Chemistry Computations for GPU"

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