Parallel Quantum Solutions (PQS) manufactures parallel computers with integrated software for high-performance computational chemistry. Our offerings have an exceptional price/performance ratio, and are fully configured for parallel computations "straight out of the box". We intend to provide chemists, biochemists, pharmaceutical scientists, material scientists and others interested in modeling chemical systems with an inexpensive, easy-to-use tool. The high computational demands of most ab initio calculations requires parallel processing to achieve reasonably fast turnaround. Parallel computational chemistry programs are expensive and difficult to set up. Our systems, built using personal computer technology, are fully competitive with expensive general-purpose parallel computers at a fraction of the cost, allowing ownership by individual researchers or small groups. To ensure reliability we use exclusively highly quality parts and technocgi-bin/logies. Our computers come with the PQS suite of programs fully configured and ready to use.

Our computers use the latest Linux operating system and come fully configured with the
• X-Window system
• Network File System (NFS)
• Message Passing Interface (MPI) and Parallel Virtual Machine (PVM)
• Sun Grid Engine (SGE) parallel job queuing software
There is a single set of users and home directories on all systems (with the exception of the root and tech accounts). The user password files and the home directories reside physically on the master and are accessed transparently from the slaves.

PQS can supply other third-party software packages preinstalled on our QuantumStation. These packages can be purchased directly from us at the manufacturers regular retail price. Currently the following packages can be supplied (click on the package name to go directly to the vendor web site) :

COSMOtherm - an add on package for realistic solvation [based on COSMO] from COSMOlogic.
MolPro - an ab initio package for high-end computations (e.g., multi-reference CI, CCSD(T), BD)
Q-Chem - a general ab initio package with a wide range of functionality from Q-Chem, Inc.
PCMode - a graphical modeling package including model builder and display from Serena Software.
Spartan - a graphical modeling package including model builder and display from Wavefunction, Inc.