Home > espresso_lb

espresso_lb

Espresso_lb is a project mainly written in C and TCL, based on the View license.

The LB branch of ESPResSo stored here temporarily

PROGRAMM:

Espresso is a parallel molecular dynamics program. It uses Tcl (http://tcl.activestate.com) as controlling language to allow great flexibility.

GETTING STARTED:

System requirements: Script language: tcl 8.4 or higher OS: Linux, Unix, MacOS X,...

CODE COMPILATION

Configure using ./configure Compile using make (must be GNU compatible, on some systems call gmake)

Installation is not necessary, if you set the ESPRESSO_SOURCE and ESPRESSO_SCRIPTS environment variables to the source directory location and to the location of its subfolder "scripts", respectively. In that case Espresso is started via "Espresso" from the source directory.

If you install Espresso, the environment variables do not have to be set. Just make sure, that the installation binary path is included in your PATH variable. Then Espresso can be started as "Espresso" from anywhere.

To clean junk from old compilation runs: make clean

For further details, see INSTALL

DOCUMENTATION

To generate documentation (requires doxygen to be installed):

change into the Espresso source directory and execute gmake docu

The documentation is in: HTML version: doc/html/index.html

CVS

The Espresso CVS is located on cvsth.mpip-mainz.mpg.de. Currently, there is no anonymous CVS access, so you need a personal account to access CVS. The CVS root is /cvs/cvsroot

You need to tell cvs to access the server via ssh by setting the environment variable CVS_RSH to ssh. Then you get your private copy by cvs -d :ext:@cvsth.mpip-mainz.mpg.de:/cvs/cvsroot heckout Espresso

This will create a new directory Espresso in the CWD, containing an up-to-date version of Espresso.

Previous:VU-KMM