Index of /~caiwei/Forum/2004-12-12-MD++/oldfiles

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[ ]md++-2017-05-02.tar.gz2017-05-02 08:41 37M 
[ ]md++-2016-06-23.tar.gz2016-06-23 22:29 35M 
[ ]md++-2016-01-26.tar.gz2016-01-27 12:09 35M 
[ ]md++-2015-08-22.tar.gz2015-08-22 02:21 35M 
[ ]md++-2015-01-14.tar.gz2015-01-14 18:53 36M 
[ ]md++-2014-10-02.tar.gz2014-10-02 18:07 35M 
[ ]md++-2014-09-26.tar.gz2014-09-26 16:11 35M 
[ ]md++-2014-04-10.tar.gz2014-04-10 16:05 38M 
[ ]md++-2014-04-04.tar.gz2014-04-04 12:59 35M 
[ ]md++-2013-07-09.tar.gz2013-07-09 13:50 34M 
[ ]md++-2011-01-28.tar.gz2013-03-21 22:50 30M 
[ ]html.tar.gz2013-03-21 22:50 2.1M 
[ ]M07_MD++_v2.pdf2013-03-21 22:50 168K 
[ ]M03_MD++.pdf2013-03-21 22:50 118K 
[ ]md++-2007-01-24.tar.gz2013-03-21 22:50 40M 
[ ]md++-2009-07-13.tar.gz2013-03-21 22:50 28M 
[ ]md++-2007-10-11.tar.gz2013-03-21 22:50 31M 
[ ]md++-2012-04-02.tar.gz2013-03-21 22:50 34M 
[ ]md++-2012-04-06.tar.gz2013-03-21 22:50 34M 
[ ]md++-2011-03-11.tar.gz2013-03-21 22:50 32M 
[ ]M02_MD++_v2.pdf2013-03-21 22:50 137K 
[ ]md++-2009-10-03.tar.gz2013-03-21 22:50 29M 
[ ]md++-2007-11-27.tar.gz2013-03-21 22:50 32M 
[ ]md++-2007-08-28.tar.gz2013-03-21 22:50 31M 
[ ]M05_MD++.pdf2013-03-21 22:50 115K 
[ ]md++-2006-10-16.tar.gz2013-03-21 22:50 33M 
[ ]M01_MD++_v2.pdf2013-03-21 22:50 60K 
[ ]md++-2010-07-18.tar.gz2013-03-21 22:50 30M 
[ ]M06_MD++.pdf2013-03-21 22:50 201K 
[ ]md++-2009-07-22.tar.gz2013-03-21 22:50 28M 
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[ ]md++-2007-01-07.tar.gz2013-03-21 22:50 34M 
[ ]md++-2009-08-27.tar.gz2013-03-21 22:50 29M 
[TXT]readme.txt2013-03-21 22:49 514  
[ ]md++-2009-08-28.tar.gz2013-03-21 22:49 29M 
[ ]md++-2007-02-27.tar.gz2013-03-21 22:49 34M 
[ ]md++-2007-11-03.tar.gz2013-03-21 22:49 32M 
[ ]md++-2005-10-07.tar.gz2013-03-21 22:49 7.3M 
[ ]M02_MD++.pdf2013-03-21 22:49 156K 
[ ]md++-2007-02-15.tar.gz2013-03-21 22:49 34M 
[ ]md++-2007-01-11.tar.gz2013-03-21 22:49 34M 
[ ]M04_MD++.pdf2013-03-21 22:49 116K 
[ ]M01_MD++.pdf2013-03-21 22:49 50K 
[ ]md++-2006-10-07.tar.gz2013-03-21 22:49 33M 
[ ]md++-2009-08-25.tar.gz2013-03-21 22:49 29M 
[ ]md++-2007-10-02.tar.gz2013-03-21 22:49 32M 
[ ]md++-2012-07-02.tar.gz2013-03-21 22:49 34M 
[ ]md++-2012-08-10.tar.gz2013-03-21 22:49 34M 
[ ]md++-2013-02-24.tar.gz2013-03-21 22:49 34M 

More up-to-date online documentation is available at our wiki site. Please read them before using MD++.

Important notice:

The latest MD++ version can interprete Tcl language (i.e. .tcl files, see Manual 08). The best way to run old .script files is to compile MD++ with the option TCL=no, which will turn off Tcl. Without this option, MD++ can interprete both .tcl and .script files but the size of the .script file cannot be too large. This bug will be fixed in a future version of MD++.

Cygwin, X11 and TCL together in MD++

Another problem we experienced was that when MD++ is compiled with cygwin, it cannot be used together with TCL, i.e. we had to use option TCL=no. Fortunately, this bug is fixed now and the solution is the following. First, we need to upgrade cygwin according to this link. This will create new files such as libtcl8.4.dll in the /usr/local/lib directory. Second, we need to use the latest MD++ code, i.e. md++-2007-08-28.tar.gz or later. In the new version, we have removed .dll files from the bin directory to be compatible with latest version of cygwin. The src/Makefile.base file is also changed by adding -L/usr/local/lib to TCLLIBS.cygwin. Third, we need to type export PATH=$PATH:/usr/local/lib, or even better to include it in your ~/.bash_profile file under cygwin. Then MD++, TCL, and X should all work in cygwin! You can try it by make sw build=cygwin and run bin/sw_cygwin scripts/Examples/example02a-si-md.script or bin/sw_cygwin scripts/Examples/Tcl/si2.tcl.

We are developing more manuals and examples for MD++.

More examples and tutorial materials are available on the web site of the book Computer Simulations of Dislocations, Chapters 1 to 7.

For now, you can download the tar.gz file and extract it in your ~/Codes directory.
This will create MD++ directory under Codes/

To compile, type e.g.
   cd ~/Codes/MD++
   make fs SYS=gpp build=R

To run, type e.g.
   bin/fs_gpp Examples/example01mo.script

The code can also be compiled on other platforms, such as cygwin,
   make clean
   make fs SYS=cygwin build=R
To install cygwin, see here.

There are manuals in the Codes/MD++/Doc directory. They are
   md++_02.pdf
   md++manual.pdf

Links to parallel MD simulation codes
   LAMMPS
   GROMACS
   NAMD