GamessQ Version 1.2
What is it?
Very simply gamessQ provides a queueing functionality for GAMESS computations running on your local desktop/laptop. gamessQ is a gui application and provides drag and drop fucntionality for running jobs with gamess that would otherwise require the use of the command line.
- Runs on Mac OS X, Windows and Linux
- Automatic execution of GAMESS jobs.
- Allows you to specify the number of processors to use for each job.
- Advanced process management allowing the user to pause and resume jobs
without loosing data.
- Backend daemon keeps the queue active even when you close the interface or
log out(Mac OS X and Linux).
- Batch job operations. Every job operation can be done to multiple jobs at a
time, allowing you to more easily manage a large queue.
- A command line interface allowing you to manage the entire queue without a
GUI (see the Man page for details)
- Interface provided in MacMolPlt to send GAMESS jobs to gamessQ and in gamessQ to open the output in MacMolPlt.
- Please refer to the gamessQ manual for a quick
walkthrough and more installation instructions.
It does not provide:
- The ablity to send tasks to other hosts.
- The ability to run programs other than GAMESS
Precompiled binaries are available for MacOS X and Windows. A source code tar file is provided for Linux (refer to the INSTALL file in the tar file for installation instructions).
gamessQ for MacOS X (universal binary)
gamessQ for Windows
Source code (under GPL 3 license)