WOSB & WBENC-Certified WBE
WOSB & WBENC-Certified WBE

SimplifyHPC - GAMESS Edition

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Streamline your computational chemistry workflows today!

SimplifyHPC streamlines quantum chemistry calculations by providing a complete, ready-to-use GAMESS environment with an intuitive graphical interface. Designed for researchers, educators, and students, this application eliminates complex installation procedures and makes advanced computational chemistry accessible to everyone.

Why Choose SimplifyHPC?

Traditional GAMESS installation requires extensive technical knowledge and often takes days to complete successfully. SimplifyHPC eliminates these barriers by providing a complete, tested environment that installs in minutes and works immediately. Start running professional quantum chemistry calculations today without the complexity of traditional computational chemistry software setup.

Complete GAMESS Bundle

  • Pre-configured GAMESS executables (parallel and serial)
  • Integrated Microsoft MPI support
  • DFTB parameter sets included
  • All auxiliary data bundled

User-Friendly Interface

  • Intuitive project management
  • Real-time calculation monitoring
  • Automatic simulation organization

Advanced Capabilities

  • Parallel processing support (2+ cores)
  • Multiple database management
  • Flexible working directory configuration

Perfect For Everyone

  • Academic researchers conducting quantum chemistry studies
  • Educators teaching computational chemistry courses
  • Students learning molecular modeling techniques
  • Industry scientists performing chemical analysis

Main Dashboard

The central dashboard provides an intuitive overview of all your GAMESS simulations with easy access to key functions (e.g., sorting by simulation status, searching for simulations conducted within certain dates, etc.) and real-time status updates.

Manage Simulations

Manage and organize your simulation records with powerful filtering and search capabilities. Update simulation metadata and track your computational chemistry projects efficiently.

Running Simulation and Monitoring

Configure your GAMESS calculations with ease! Just point to the input file, choose MPI settings and run. Defaults for critical performance parameters are also provided. Track simulation progress in real-time with output monitoring, error detection, and automated notifications.

Settings

Establish default settings for your GAMESS calculations in the Settings panel. Change databases to organize simulations.

Learn more and Report bugs

Learn more about the software and easily report bugs using the About panel.