[Openmd-developers] Launching OpenMD on Windows Platform

[Dan Gezelter]

Dear Robin,

  OpenMD can be built on Windows as a command line (console) application.  However, we have not yet been able to get it to link with some of required the libraries like qhull, openbabel, MPI, and fftw, so it doesn't have full functionality.  We also don't know how to package the application for Windows users, so we'd be very happy to have someone who knows about windows development working on this.

The Windows version of CMake can generate working build projects for MSVC, and right before the 2.3 release, we checked that MSVC can build all of the programs in the package.

If you wanted to tackle one area for windows users, it would be modifying the CMake build process so that linking to the Windows DLLs can function:

Here are some links to the relevant tools and libraries:  

CMake:         http://www.cmake.org/download/
Qhull:         http://www.qhull.org/download/
FFTW:          http://www.fftw.org/install/windows.html
OpenBabel:     http://openbabel.org/docs/dev/Installation/install.html
Microsoft MPI: https://msdn.microsoft.com/en-us/library/bb524831(v=vs.85).aspx
Git:           http://git-scm.com/download/win

The build process is slightly different in the development branch than in 2.3, so if you are getting started you might want to clone the most recent version of OpenMD from GitHub:

https://github.com/OpenMD/OpenMD


Best regards,

 --Dan Gezelter


> On Apr 8, 2015, at 3:35 AM, 강효승 <fordicus at naver.com> wrote:
> 
> Respected professor Gezelter,
> 
>  
> I am a undergraduate student in Konkuk University in Korea,
> 
> and I major in "New Materials Engineering" & "Electronics Engineering".
> 
>  
> My goal in this last year of the undergraduate school is,
> 
> the "Acceleration of the Distribution of OpenMD to the Korean Science Society".
> 
>  
> As I am more based on Electronics Engineering, there is no doubt that I always co-work with the computers in every developments and researches.
> 
> But unfortunately in Korea, the most of the chemists don't have some hint to co-work with computers, so I was interested in projects for Computer Aided Chemistry.
> 
>  
> For my idea, I have strolled through the user manual of OpenMD, and then tried the simple simulation examples in my Linux machine in the last week.
> 
> I think I am ready to get into the scope of the programming.
> 
>  
> By the way, the most critical issue in Korea is that, the Operating System which occupies 99% is Windows.
> 
> So my job is the nice launching of OpenMD into a Windows Application.
> 
> I also made myself ready to build Windows Program before I started the OpenMD.
> 
>  
> But if I start from the first alone to convert the Linux console program into Windows App., it will take longer time and I have doubt if I could finish it in months.
> 
> I failed to find any similar projects for launching in Windows. Though I will start from today alone, do you have any suggestions, sir?
> 
> Do you have any people working on it, or is there any recommended methodology of this program conversion?
> 
>  
> I appreciate your valuable time for reading my email.
> 
> When I am successful with this project, it will be really worthy and will have favorable impact in my nation.
> 
> I am widely open to share my program, and my plan in graduate school will also be related to this.
> 
>  
> Thank you.
> 
> ===============================================================
> Yours Indeed,
> Robin.
> 
> 
> Direct Line : +82 2-456-7063
> Mobile : +82 10-3096-2116 
> Email : fordicus at naver.com 
> Website : http://electronics.konkuk.ac.kr/
> 
> VLSI Design Lab.
> Eng. Building A305
> Konkuk University
> 
> [ZIP] 143-701
> 120 Neungdong-ro, Gwangjin-gu,
> Seoul, South Korea
> ===============================================================
> 

***********************************************
  J. Daniel Gezelter
  Associate Professor of Chemistry
  Department of Chemistry and Biochemistry
  251 Nieuwland Science Hall
  University of Notre Dame
  Notre Dame, IN 46556-5670

  phone:  +1 (574) 631-7595
  e-mail: gezelter at nd.edu
  web:    http://www.nd.edu/~gezelter
************************************************