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标题: How to install GROMACS on windows using cygwin ? [打印本页]

作者
Author: aitouna 时间: 2020-12-16 18:38
标题: How to install GROMACS on windows using cygwin ?
本帖最后由 aitouna 于 2020-12-16 18:43 编辑

I would like to ask about the conditions to install GROMACS on windows using cygwin, but i found that the guide installation of GROMACS required Cmake 3.9.6 or later, but the latest version of Cmake in cygwin is 3.17.3.
I'm seeking your kind assistance in this matter.

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作者
Author: liuyuje714 时间: 2020-12-16 18:48
Running gromacs on Windows please see blog http://bbs.keinsci.com/thread-11848-1-1.html

作者
Author: sobereva 时间: 2020-12-16 22:58
You do not need to use Cygwin. A much better choice is directly using the native Windows version of GROMACS compiled by me, see the end of the following article. My compiled version also supports CUDA acceleration.
GROMACS的原生Windows版的编译和安装方法（支持GPU加速）
http://sobereva.com/458

作者
Author: aitouna 时间: 2020-12-26 20:56
Dear Professor,
Hello, for the first step concerning the FFTW , I used the command cmake . -DCMAKE_INSTALL_PREFIX=C:\fftw339 -DENABLE_SSE2=ON -DENABLE_AVX=ON -DENABLE_FLOAT=ON -DBUILD_SHARED_LIBS=ON -G "Visual Studio 16 2019 Win64"but i get an error.
Note : I installed the VS2019

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作者
Author: sobereva 时间: 2021-1-2 20:18

aitouna 发表于 2020-12-26 20:56
Dear Professor,
Hello, for the first step concerning the FFTW , I used the command cmake . -DCMAKE ...

You do not need to manually compile it. I suggest directly using my pre-compiled GROMACS. Just download and use.

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