Share the Windows 32-bit parallel version Abinit 7.10.5

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Share the Windows 32-bit parallel version Abinit 7.10.5

Postby vistawanted » Mon Nov 28, 2016 4:59 pm

The source code package, Abinit 7.10.5, has been compiled to Windows 32-bit parallel (through MPICH2) binaries. It will help the person who wants to run a quick test computation on laptop, or learn how to use Abinit before accessing to Unix/Linux system. Since Windows version (64-bit) Abinit had been officially stopped after version 7.4, but the XML format PAW pseudo-potential cannot be used until version 7.6, the version 7.10.5 could be more acceptable to try new technologies in Abinit package. Further, 32-bit program can be run under both 32-bit and 64-bit Windows system, and 2GB RAM/process limit is totally enough for small system calculation.
Procedure to download it:
  1. download URL: http://pan.baidu.com/s/1c23MmRY
  2. click the 2nd button, being written as 下载(34M), at right of the file name "Abinit_7.10.5_win32_parallel.zip".
Procedure to "install" it:
  1. unzip the package, you can see five files (from MPICH2 1.4.1p1), mpiexec.exe, smpd.exe, fmpich2g.dll, mpich2mpi.dll and mpich2nemesis.dll, and a folder - abinit_7.10.5.
  2. create a new folder, such as in name of Abinit under C driver (i.e., C:\Abinit)
  3. copy all unzipped files to C:\Abinit. Note that, all files means the five MPICH2 files and all *.exe files in abinit_7.10.5
  4. Start menu -> accessories -> (right click) cmd -> run as administrator, then type following command in cmd (if all files were copied to other path, please adjust the path by self)
    Code: Select all
    C:\Abinit\smpd -install
Procedure to run it:
  1. choose a folder and prepare all input files*
  2. (recommend) open cmd to the folder storing *.files**, it can be easily access the "current" folder in cmd by
    -- opening the folder window
    -- pressing SHIFT and meanwhile right clicking the empty space in "current" folder window
    -- choosing "open command window from here"
  3. run the calculation through following command, where #, *.files, and *.log*** are processor number, input file and log file, respectively.
    Code: Select all
    mpiexec -localonly abinit # < *.files > *.log
COMMENTS
* : including *.files, pseudo-potential files and calculation parameter/variables file, reading the manual and toturial in Abinit official website.
** : *.files is the file in which listed calculation paramter/variables file, specified output file, pseudo-potential files and other temp files, learning more from the manual and toturial in Abinit official website.
*** : *.log is the file in which record all information to standard output device (echo in cmd). If it was not specified, the calculation information will be rolling displayed in cmd window.
;) Enjoy It.
GAO Zhe, Dr.,
Saint-Gobain Research Shanghai Co., Ltd,
Shanghai, P. R. China
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vistawanted
 
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