Linux

Available in two formats: RPM (Redhat Package Manager) and TAR (TARball). For installation instructions please refer to the README file.

Product		Architecture			Documentation
		32-bit  generic	32-bit** large cache	64-bit
PQS ver 3.3	serial
	parallel* PVM 3.4.5
	parallel* MPICH1 1.2.7p1
	parallel* MPICH2 1.0.3
	Trial ****		***	***
SQM ver 1.0			***	***
PQSMol ver 1.2	Full		***
	Trial ****		***

^* The serial package is required. It contains the base directories data files needed in the parallel version.
^** Requires at least 1 MB of cpu cache (to check your machine issue command: "cat /proc/cpuinfo |grep cache").
^*** The 32-bit generic files are compatible with all architectures.
^**** The trial versions are free to download and do not require a license. They are somewhat limited in functionality. See below.


Large Cluster Installations

Custom parallel versions of PQS ab initio are available for easy installation (RPM) on HPC clusters using fast network interconnects, such as Infiniband. Currently we support several versions of MPI including QLogic, TopSpin, OpenMPI, MVAPICH. We are constantly working to port the program to other MPI implementations. Please contact us at tech@pqs-chem.com to request a custom version.

Windows

Available in MSI (MicroSoft Installer) format. For installation instructions please refer to the README file. PQS and PQSMol are bundled into a single package.

Product			Documentation
PQSMol ver 1.2 & PQS ver 3.3	Full
	Trial *
SQM ver 1.0

^* The trial versions are free to download and do not require a license. They are somewhat limited in functionality. See below.

MacOS

Available in TAR (TARball) format for Intel Mac only (PowerPC version not yet available). For installation instructions please refer to the README file.

Product		i386	Documentation
PQS ver 3.3	serial
	parallel* PVM 3.4.5
	parallel* MPICH1 1.2.7p1
	parallel* MPICH2 1.0.3
	Trial **
SQM ver 1.0
PQSMol ver 1.2		Coming soon.

^* The serial package is required. It contains the base directories data files needed in the parallel version.
^** The trial versions are free to download and do not require a license. They are somewhat limited in functionality. See below.

Third Party Software

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):

ADF -- a density functional package from Scientific Computing and Modelling NV

COSMOtherm -- an add on package for realistic solvation [based on COSMO] from COSMOlogic.

Jaguar -- a pseudo-spectral ab initio package from Schrödinger, LLC

Gaussian 03 -- a general ab initio package with a wide range of functionality from Gaussian, Inc.

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.

PCModel -- 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.