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Recent content by niki

  1. N

    How to seedup molecular modelling on GPU?

    Hi Pocatello, Thank you. I am an organic chemist. I am making my own programs of molecular mechanics and ligands for DNA. Best wishes.
  2. N

    How to seedup molecular modelling on GPU?

    Dear Xilikon, I don't want to be as close as possible to the developers of the Folding@Home.
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    How to seedup molecular modelling on GPU?

    Dear HighYield, I am already understand that "the wrong target audience here" and repeat it on the second forum. That is way I post it in "multiple forums" (2 forums). Nevertheless I am feeling the right to continue discussion if somebody answered me as it happened. I am also a practicing...
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    How to seedup molecular modelling on GPU?

    Thank you chrisf6969. Unfortunately they give only the code for the generation of random numbers. No reasons to trust these numbers. I see only two real applications which it is possible to download: HOOMD http://www.external.ameslab.gov/hoomd/download_real.html...
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    Molecular modelling on GPU

    I tried to do some protein folding but I am not participant of folding@home
  6. N

    How to seedup molecular modelling on GPU?

    Hi I’d like to discuss possibilities to reach hi performance in molecular dynamics on NVIDIA CUDA technology. Astronomers declare 2 order speedup to their tacks. Unfortunately in molecular calculations situation is not so good. Problems originate form the fact than not all pairs of particles...
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    Molecular modelling on GPU

    Dear Wheresatom, thank you very much. I missed this sub forum.
  8. N

    Molecular modelling on GPU

    Thank you for answer and reference. Well organized molmechanic code does not have branches. We have a lot experience in it on CPU. But we have not experience how to work without fast memory access. Shared memory help very small so that it have small capacity.
  9. N

    Molecular modelling on GPU

    Hi I’d like to discuss possibilities to reach hi performance in molecular dynamics on NVIDIA CUDA technology. Astronomers declare 2 order speedup to their tacks. Unfortunately in molecular calculations situation is not so good. Problems originate form the fact than not all pairs of particles...
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