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Thread Status: Active Total posts in this thread: 15
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mgl_ALPerryman
FightAIDS@Home, GO Fight Against Malaria and OpenZika Scientist USA Joined: Aug 25, 2007 Post Count: 283 Status: Offline Project Badges:
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Hi Nickoli,
Thank you very much! Best wish, Alex L. Perryman, Ph.D. |
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johncmacalister2010@gmail.com
Veteran Cruncher Canada Joined: Nov 16, 2010 Post Count: 799 Status: Offline Project Badges:
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Hi, Dr Perryman:
----------------------------------------I have six GPUs working on other applications and would be happy if GFAM could use some of this capacity. Maybe some day....Anything to rid the world of the malaria plague would be good IMHO. John crunching, crunching, crunching. AMD Ryzen 5 2600 6-core Processor with Windows 11 64 Pro. AMD Ryzen 7 3700X 8-Core Processor with Windows 11 64 Pro (part time) ![]() |
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mgl_ALPerryman
FightAIDS@Home, GO Fight Against Malaria and OpenZika Scientist USA Joined: Aug 25, 2007 Post Count: 283 Status: Offline Project Badges:
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Hi John,
I addressed this GPU issue in a previous post: "We are not currently planning to re-write Vina for use on GPUs. Vina is already super-fast, when compared to other docking programs. GPU-enabling Vina might not actually improve the speed much (different programs get much more of an increase in speed on GPUs than other programs). Besides, the Olson lab does not have enough extra personnel to devote the time required to re-write the Vina code for GPUs. But if other scientists re-write it for GPUs and it does significantly increase the speed while maintaining the same level of accuracy, then we will consider testing their code and using it." Perhaps some day there will be a GPU-enabled version of Vina that is significantly faster than the current version. But creating it is not a priority for the Olson lab at this time. I agree wholeheartedly--anything we can do to rid the world of the malaria plague would be good. Thank you for your support, Alex L. Perryman, Ph.D. |
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johncmacalister2010@gmail.com
Veteran Cruncher Canada Joined: Nov 16, 2010 Post Count: 799 Status: Offline Project Badges:
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Hi John, I addressed this GPU issue in a previous post: "We are not currently planning to re-write Vina for use on GPUs. Vina is already super-fast, when compared to other docking programs. GPU-enabling Vina might not actually improve the speed much (different programs get much more of an increase in speed on GPUs than other programs). Besides, the Olson lab does not have enough extra personnel to devote the time required to re-write the Vina code for GPUs. But if other scientists re-write it for GPUs and it does significantly increase the speed while maintaining the same level of accuracy, then we will consider testing their code and using it." Perhaps some day there will be a GPU-enabled version of Vina that is significantly faster than the current version. But creating it is not a priority for the Olson lab at this time. I agree wholeheartedly--anything we can do to rid the world of the malaria plague would be good. Thank you for your support, Alex L. Perryman, Ph.D. Many thanks, Dr Perryman....I apologize for wasting your time o a previously addressed issue. ![]() crunching, crunching, crunching. AMD Ryzen 5 2600 6-core Processor with Windows 11 64 Pro. AMD Ryzen 7 3700X 8-Core Processor with Windows 11 64 Pro (part time) ![]() |
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fablefox
Senior Cruncher Joined: May 31, 2010 Post Count: 168 Status: Offline Project Badges:
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Glad to be able to help :-)
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