| 1998 Q1 | The
Intel equipment is being incorporated into the College of Chemistry computing
lab supporting theoretical chemistry and scientific visualization. Two of
the systems (a 266MHz and a dual 300MHz) are currently running the Solaris
operating system and users are porting theoretical chemistry code to operate
in this environment. In addition, we are running the Khoros visualization
suite on these platforms.
Currently I am attempting to port Gaussian92, MOPAC, MOLCAS, MOLDEN and a few other packages to this platform. Once this is done, users will have a wider base of programs from which to operate. The third machine (a 266MHz) is running NT and is used to administer the project. Currently we have no way to incorporate NT in the user id motif used in Unix so it will remain a standalone system for the time being. |
| 1998 Q2 | The Intel equipment is in the College of Chemistry's Molecular Graphics Facility. Two of the systems (a 266MHz and a dual 300MHz) are running the Solaris operating system. The biggest single application in use at this time is MSP (Molecular Surface Program) for calculating details about molecular surfaces. Also popular is MolScript, a program for displaying molecular 3D structures. These work well on the Solaris/Intel pairing. Khoros is a information processing, data visualization, and software integration package and is also available. We are also running Gamess which is a quantum mechanical program. We are attempting to compare the price/performance on Intel vs other hardware for such applications while we add more software of this type on the Intel machines. In particular, we are still porting Gaussian92 and MOPAC to this configuration. The third machine (a 266MHz) is running NT and is used to administer the project. Further, this machine is being used to evaluate the issues NT presents as an OS in a shared facility. We are looking at running the Cache software in the next quarter. http://glab.cchem.berkeley.edu |