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소프트웨어 (계산용 프로그램)/Quantum Espresso

[Quantum Espresso] installing Xcrysden in Windows 10

by Physics 2022. 3. 4.
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0. Requirement 

Unlike normal programs in windows, the Xcysden program for Windows can be only opened through Cygwin. Cygwin is a program that provides Unix/Linux-like-environments in Windows OS. Even though Cygwin is not Linux OS, by using this, users can handle commands and programs used in Linux with Cygwin in Windows. Anyway, in order to use Xcysden in Windows OS, you need to download following things;      

 1) Install cygwin
   • website: http://www.cygwin.com/  
 2) Install Xming 
   • website: https://sourceforge.net/projects/xming/
 3) Install necessary packages through cygwin 
   • according to README file in Xcrysden for windows, following packages are needed
   : tcl-tk, tcl-togl, fftw3, libGL1, libGLU1, xorg-server, bash, bc, coreutils, gawk, grep, gzip, ImageMagick, less, util-linux
   • In a cygwin terminal, by entering following command, let's install necessary packages:

apt-cyg install tcl-tk fftw3 libGL1 libGLU1 xorg-server bash bc coreutils gawk grep gzip less util-linux ImageMagick

 

1. downloading Xcrysden from an official website  

1) Download Xcysden 
  • Website:
http://www.xcrysden.org/Download.html    
  • On this website, download a file of "Windows - WSL binary package"   
2) unzip the Xcrysden file 
  • By the following command, let's unzip tar.gz file 

$ tar -zxvf <Xcrysden file>

  • Note 
   (1) For the name of the directory in which the Xcrysden file exists, its name should not include any whitespace. Whitespace in the name causes some problems when you open Xcrysden fie. 

3) open Xcrysden 
In the directory where "xcrysden" file exists, let execute the following command in order to run Xcrysden. 

./xcrysden

 

2. Error issue

1) ftnunit file error
For me, I resolved this problem by downloading libgfortran4 through apt-cyg in Cygwin. Because the problem was caused by a fact that ​there was no file whose name is cyggfortran-4.dll

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