Биологический проект Налаштування

[Alien]

Как насчет сделать клиенты для громакса\намда с практическим применением в НИИ академии наук Украины?

[Death]

Software

The Folding@home client consists of three separate components.
The client software acts as a download and file manager for work units and scientific cores, controls the cores, and is the software that the user interacts with. Separating the client from the core enables the scientific methods to be updated automatically (or new methods to be added) without a client update.
The Work Unit is the actual data that the client is being asked to process.
The Core performs the calculations on the work unit. Folding@homes cores are based on modified versions of seven molecular simulation programs for calculation: TINKER, GROMACS, AMBER, CPMD, SHARPEN, ProtoMol and Desmond.[10][11] Where possible, optimizations are used to speed the process of calculation. There are many variations on these base simulation programs, each of which is given an arbitrary identifier (Core xx):[12]
[edit]Active Cores
GROMACS (all variants of this core use SIMD optimizations including SSE, 3DNow+ or AltiVec, where available, unless otherwise specified)
Gromacs (Core 78)
Available for all Uniprocessor clients only.
DGromacs (Core 79)
Double precision Gromacs, uses SSE2 only.
Available for all Uniprocessor clients only.
DGromacsB (Core 7b)
Nominally an update of DGromacs, but is actually based on the SMP/GPU codebases (and is therefore a completely new core). As a result, both are still in use.
Double precision Gromacs, uses SSE2 only.
Available for all Uniprocessor clients only.
DGromacsC (Core 7c)
Double precision Gromacs, uses SSE2 only.
Available on Windows and Linux Uniprocessor clients only.
GBGromacs (Core 7a)
Gromacs with the Generalized Born implicit solvent model.
Available for all Uniprocessor clients only.
Gromacs SREM (Core 80)
Gromacs Serial Replica Exchange Method.
The Gromacs Serial Replica Exchange Method core, also known as GroST (Gromacs Serial replica exchange with Temperatures), uses the Replica Exchange method (also known as REMD or Replica Exchange Molecular Dynamics) in its simulations.
Available for Windows and Linux Uniprocessor clients only.
GroSimT (Core 81)
Gromacs with Simulated Tempering.
Available for Windows and Linux Uniprocessor clients only.
Gromacs 33 (Core a0)
Uses the Gromacs 3.3 codebase.
Available for all Uniprocessor clients only.
Gro-SMP (Core a1)
Symmetric MultiProcessing variant, locked to four threads (but can be run on dual core processors).
Runs only on multi-core x86 or x64 hardware.
Available for all SMP clients only.
GroCVS (Core a2)
Symmetric MultiProcessing variant with scalable numbers of threads.
Runs only on multi-core x86 or x64 hardware, with four or more cores.
Uses the Gromacs 4.0 codebase.
Available for Linux and Mac OS X SMP clients only.


NVIDIA GPU v2.0 r1 client for Windows.
Gro-A3 core (Core a3)
SMP version of the Gromacs A4 core.
Uses threads rather than MPI for multicore support.
Available for SMP2 client only.
In open beta testing before general release.
Released January 24th, 2010.
Gro-A4 (Core a4)
A single core version of the Gromacs SMP2 core.
Available for Windows and Linux Uniprocessor clients only.
GroGPU2 (Core 11)
Graphics Processing Unit variant for ATI CAL-enabled and nVidia CUDA-enabled GPUs.
Comes in two separate versions, one each for ATI and nVidia, but both have the same Core ID.
GPUs do not support SIMD optimizations by design, so none are used in this core.
Available for GPU2 client only.
ATI-DEV (Core 12)
Graphics Processing Unit developmental core for ATI CAL-enabled GPUS.
Does not support SIMD optimizations.
Available for GPU2 client only.
NVIDIA-DEV (Core 13)
Graphics Processing Unit developmental core for nVidia CUDA-enabled GPUs.
Does not support SIMD optimizations.
Available for GPU2 client only.
GroGPU2-MT (Core 14)[13]
Graphics Processing Unit variant for nVidia CUDA-enabled GPUs.
Contains additional debugging code compared to the standard Core 11.
Does not support SIMD optimizations.
Released March 2, 2009.
Available for GPU2 client only.
Gro-PS3 (Does not have a known ID number, but also called SCEARD core)
PlayStation 3 variant.
No SIMD optimizations, uses SPE cores for optimization.
Available for PS3 client only.
AMBER
PMD (Core 82)[12]
No optimizations.
Available for Windows and Linux Uniprocessor clients only.