|
Screensaver Graphics
Here's a screenshot of the NanoHive@Home screensaver graphics, followed by an explanation of the various elements:
Left Side Statistics and Information
| Participant's Username |
| Team | Participant's team name (if they're a member of a team). |
| Host Credit | Total credit granted to the participant from this host. |
| Total Credit | Total credit granted to the participant from all hosts so far. |
| Work Unit |
| Identifier | An identifier for the work unit. The form is:
| molecule name | A unique molecule identifier (not just a chemical formula) |
| .L. or .U. | A designation for tooltips. L is for loaded tooltips (ready to deposit an atom/molecule) and U is for unloaded tooltips (ready to be loaded.) |
| deform_# | If present, indicates that this is a thermally deformed version of the molecule. The # is a deform serial number. |
See the project's simulation detail page linked to from the Current Simulations page for per-molecule details and results |
| Slot | A BOINC-specific identifier that specifies a sub-directory where work unit calculations will take place. |
| CPU Time | The total CPU time from the beginning of the work unit calculation. |
| % Complete | Indication of how complete the calculation of this work unit is. |
| Progress Bar |
| Graphical indication of how complete the calculation of this work unit is. |
| Activity |
The steps taken for the processing of the work unit, and their results. The geometry optimizations consist of two levels of computation: the optimization iterations, and the energy calculation iterations. Each optimization iteration consists of several energy calculation iterations. Here is the format of the energy calculation output lines:
| Example: 12.06 dE=2.024e-005 [3.337e-006] |
| N.M | N is the optimization iteration index, starting at 1, and M is the energy calculation iteration index, also starting at 1. |
| dE=actual energy accuracy | The current accuracy of the energy calculation - essentially the delta of the last two energy values. |
| [desired energy accuracy] | The desired accuracy - once the calculation has achieved the desired accuracy, it's complete. |
Here is the format of the optimization iteration output lines:
Example:
Max gradient 0.0068 [0.0010] : no
Max displace 0.1770 [0.0010] : no |
| Max gradient | Refers to the steepest slope encountered by the atoms in the molecule during the optimization process. |
| Max displace | Refers to the largest movement undergone by the atoms in the molecule during the optimization process. |
| current value [desired value] | The optimization iterations continue until each of the current displacement and gradient values are less than the desired values. |
| yes or no | Whether or not the current value is less than the desired value. |
|
Center Animation
In the center of the window is an animation of the molecule undergoing geometry optimization. The animations are essentially schematics of the molecular systems with balls of different size and color representing the atoms of different types. You can drag the mouse in the window with the left mouse-button down to rotate the animation.
The following is a legend showing the relative atom representation sizes and colors for the first 20 atoms in the periodic table.
Top Right Animation Control Help
This area shows a legend of how the various function keys (F-keys) affect the animation in the center of the window. Here's an explanation of each:
| F1 | Toggles the help display on and off. |
| F2 | Switches the schematic representation, or visual model, of the system. The default model is "Ball and Stick" which uses a sphere with radius reflecting the atom's outer shell of electrons, and lines to represent bonds between atoms. The alternate model is "van der Waals Radii" which represents each atom as a larger sphere with a radius indicative of the distance between pairs of two such unbonded atoms.
| | F3 | Toggles model rotation on and off. |
|
