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QuantumCubeTMSystems
(see products for hardware details)
- 16-CPU quad-core model, basic hardware configuration
Intel Xeon based QS16-2300C-X64Q
Prices starting under $11k* (plus shipping/insurance)
(Academic discount available for qualified customers)
- 16-CPU quad-core model, advanced hardware configuration
Intel Xeon based QS16-3000C-X64Q
Prices starting under $20k* (plus shipping/insurance)
(Academic discount available for qualified customers)
- 32-CPU quad-core model, basic hardware configuration
Intel Xeon based QS32-2300C-X64Q
Prices starting under $20k* (plus shipping/insurance)
(Academic discount available for qualified customers)
- 32-CPU quad-core model, advanced hardware configuration
Intel Xeon based QS32-3000C-X64Q
Prices starting under $39k* (plus shipping/insurance)
(Academic discount available for qualified customers)
* Pricing is subject to fluctuations in component costs, and should be used as a rough guideline. For a specific quote please contact PQS.
Larger systems are available as multiple 16-CPU and 32-CPU units, e.g.,
a 64-CPU system would comprise two of our 32-CPU units.
Additional memory and/or disk storage can usually be supplied on request (at extra
cost).
Custom hardware configuration available. For an official quote please
contact us at sales@pqs-chem.com.
Our QuantumCubeTM parallel supercomputer comes
fully loaded with our parallel PQS ab intio program, the PQSMol GUI, the SQM
program, PVM, MPI and SGE software, and all Linux utilities. We will
preinstall user IDs on request. The machine is ready to use
"straight out-of-the-box". Simply plug in and switch on (instructions
provided) and you should be able to submit jobs within about ten minutes.
Hard-copy manuals plus a test suite for the PQS ab initio program is included.
This is a fully operational research computer and is not restricted to
running exclusively PQS software. It includes Fortran and C/C++ compilers and Java interpreters, and can be used to compile and run your own programs, and those of other software vendors.
How to buy PQS Software?
Click on the  button next to the desired product to put it in your PayPal shopping cart. The PayPal shopping cart will open in a seperate window. Complete the PayPal checkout procedure by clicking on "Proceed to Checkout". After receiving notice of payment, we will send download instructions with a username and password to access our download area, to the email address given during the PayPal checkout. Download and install the product. On the initial run of the PQS Software a lockcode will be generated. Send this lockode to licenses@pqs-chem.com. We will then generate and send you a license matching that lockcode, along with instructions on how to unlock PQS Software.
We also accept purchase orders (PO's) by FAX and mail. Please include an email address in the PO. Visit the contact page for contact information.
PQS ab initio program
| # of copies or processes* |
Academic |
Industry |
| new |
upgrade |
new |
upgrade |
| 1 |
|
|
|
|
| 2-4 |
|
|
|
|
|
5-8 |
|
|
|
|
| 9-16 |
|
|
|
|
| 17-32 |
|
|
|
|
| 33-64 |
|
|
|
|
| 65-128 |
|
|
|
|
| 128+ |
|
|
|
|
| PQS ab intio Manual (hardcopy) |
|
* maximum allowed number of computing processes per job. PVM or MPI is required for jobs spawning 2 or more computing processes.
** Serial version (one computing process per job) only is available for Windows.
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Optional
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Weinhold's NBO package + hard copy manual
|
|
$40
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PQSMol
Graphical User Interface to the PQS ab initio program containing a model builder
(with two mechanics force fields),
job input preparation, serial and parallel job submission (including an interface to SGE, DQS and PBS job queues as well as PVM control) and post-job visualization and
display. The latter includes molecular orbitals (cononical, localized and natural),
electron densities, electrostatic potentials, optimization history, dynamics trajectories, animation of normal modes and simulation of
IR/Raman, NMR and VCD spectra. See a screenshot of PQSMol in action or download a trial version.
# of
copies |
Academic |
Industry |
| new |
upgrade |
new |
upgrade |
| 1 |
|
|
|
|
| 2-4 |
|
|
|
|
|
5-8 |
|
|
|
|
| 9-16 |
|
|
|
|
| 17-32 |
|
|
|
|
| 33-64 |
|
|
|
|
| 65-128 |
|
|
|
|
| 128+ |
|
|
|
|
| PQSMol Manual (hardcopy) |
|
|
Scaled Quantum Mechanical (SQM) program
| |
|
Academic |
|
Industry |
SQM
serial |
|
$60 |
|
|
$120 |
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Convert2 program
| |
|
Academic |
|
Industry |
| Convert2 |
|
$60 |
|
|
$120 |
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Friday, 28-Mar-08 16:42:17 PDT
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