How to buy PQS Turnkey Systems?
    

      
   
   We accept purchase orders (POs) by FAX (479 521-5167), mail (contact) and email (sales@pqs-chem.com).  Please include an email address in the PO.  Visit the contact page for full contact information.  
      
   We will promptly confirm the receipt of an order usually via email.  Please allow 30 days for assembly, testing and delivery of the system.

    












    
QuantumCubeTM systems
    
Intel Westmere 6-core based products
    


    

       

    • 24-core (CPU) model, standard hardware configuration
    (details)
      
    Intel Xeon Westmere based QS24-2660C-XW6
      
    Prices starting under $15k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 24-core (CPU) model, advanced hardware configuration
    (details)
      
    Intel Xeon Westmere based QS24-2930C-XW6
      
    Prices starting under $24k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 48-core (CPU) model, standard hardware configuration
    (details)
      
    Intel Xeon Westmere based QS48-2660C-XW6
      
    Prices starting under $22k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 48-core (CPU) model, advanced hardware configuration
    (details)
      
    Intel Xeon Westmere based QS48-2930C-XW6
      
    Prices starting under $42k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

          

    

AMD Magny-Cours 8-core based products
    


    

       

    • 32-core (CPU) model, standard hardware configuration
    (details)
      
    AMD Opteron Magny-Cours 8-core based QS32-2000C-OM8
      
    Prices starting under $12k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 32-core (CPU) model, advanced hardware configuration
    (details)
      
    AMD Opteron Magny-Cours 8-core based QS32-2400C-OM8
      
    Prices starting under $19k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 64-core (CPU) model, standard hardware configuration
    (details)
      
    AMD Opteron Magny-Cours 8-core based QS64-2000C-OM8
      
    Prices starting under $22k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 64-core (CPU) model, advanced hardware configuration
    (details)
      
    AMD Opteron Magny-Cours 8-core based QS64-2400C-OM8
      
    Prices starting under $36k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

          

    

AMD Magny-Cours 12-core based products
    



    

       

    • 48-core (CPU) model, standard hardware configuration
    (details)
      
    AMD Opteron Magny-Cours 12-core based QS48-1900C-OM12
      
    Prices starting under $17k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 48-core (CPU) model, advanced hardware configuration
    (details)
      
    AMD Opteron Magny-Cours 12-core based QS48-2200C-OM12
      
    Prices starting under $32k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 96-core (CPU) model, standard hardware configuration
    (details)
      
    AMD Opteron Magny-Cours 12-core based QS96-1900C-OM12
      
    Prices starting under $32k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

      

    • 96-core (CPU) model, advanced hardware configuration
    (details)
      
    AMD Opteron Magny-Cours 12-core based QS96-2200C-OM12
      
    Prices starting under $61k* (plus shipping/insurance)
      
    (Academic discount available for qualified customers)

          

    

See products for hardware details.
    








* 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 multiples of QuantumCubeTM systems, e.g. a 192-core system would comprise two of our 96-core 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 and QuatumClusterTM parallel supercomputers come
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 separate 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 (479 521-5167), mail (contact) and email (sales@pqs-chem.com).  Please include an email address in the PO.  Visit the contact page for full contact information. 

    



 





    

    PQS ab initio program
     

      
 
      
   Operating System: 
   Linux
   MacOS
   Windows**
 
      
  
   
         
   
      
      # of copies or processes*
      Academic

      Industry
   
       
   
      
      new
      upgrade
           new

      upgrade
   
      
   
      
      1
      
         
       $250 
      
            		
      
         
       $100 
      
            		
      
         
       $500 
      
            		
      
         
       $200 
      
            		
   
      
   
      
      2-4
      
         
       $450 
      
            		
      
         
       $180 
      
            		
      
         
       $900 
      
            		
         
            
      $360  
      
               		
   
      
   
      
      
         5-8
      
            
      $750  
      
            		
      
         
      $300  
      
            		   
      
            
      $1500  
      
            		
      
            
      $600  
      
            		
   
      
   
      
      9-16
      
            
      $1050  
      
            		
      
            
      $420  
      
            		
      
            
      $2100  
      
            		
      
            
      $840  
      
            		
   
      
   
      
      17-32
      
            
      $1350  
      
            		
      
            
      $540  
      
            		
      
            
      $2700  
      
            		
      
            
      $1080  
      
            		
   
      
   
      
      33-64
      
            
      $1700  
      
            		
      
            
      $680  
      
            		
      
            
      $3400  
      
            		
      
            
      $1360  
      
            		
   
      
   
      
      65-128
      
            
      $2100  
      
            		
      
            
      $840  
      
            		
      
            
      $4200  
      
            		
      
            
      $1680  
      
            		
   
      
   
      
      128+
      
            
      $2500  
      
            		
      
            
      $1000  
      
            		
      
            
      $5000  
      
            		
      
            
      $2000  
      
            		
   
      
   
      
      PQS ab intio Manual (hardcopy)
      
         
      

            
      
$40 - domestic
      $50 - international      
            		
   
      
   
      
      
         
      
         * maximum allowed number of computing processes per job.  PVM or MPI is required for jobs spawning 2 or more computing processes.
      
         ** parallel version is NOT available for Windows - serial version (one computing process per job) only.
            		
   
      

         

      

      
   
   
      Optional
         
         		

      

      
   
      Weinhold's NBO package + hard copy manual
   
   
   
   
        
   
   
        
      
           
           
           
           
           
           
           
           
           
           
           
           
           
        
      
        $40 - domestic
      $50 - international      
         		

      

         

    

    



    


    

    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 verson for Linux
or Windows (Linux rpm, tarball, 32-bit and 64-bit versions available on the software page).

      

        
 
      
   Operating System: 
   Linux
   Windows
 
      
   
   
         
   
      
      # of 
      copies      		
      Academic

      Industry
   
       
   
      
      new
      upgrade
           new

      upgrade
   
      
   
      
      1
      
         
       $200 
      
            		
      
         
       $80 
      
            		
      
         
       $400 
      
            		
      
         
       $160 
      
            		
   
      
   
      
      2-4
      
         
       $360 
      
            		
      
         
       $144 
      
            		
      
         
       $720 
      
            		
         
            
      $288  
      
               		
   
      
   
      
      
         5-8
      
            
      $600  
      
            		
      
         
      $240  
      
            		   
      
            
      $1200  
      
            		
      
            
      $480  
      
            		
   
      
   
      
      9-16
      
            
      $840  
      
            		
      
            
      $336  
      
            		
      
            
      $1680  
      
            		
      
            
      $672  
      
            		
   
      
   
      
      17-32
      
            
      $1080  
      
            		
      
            
      $432  
      
            		
      
            
      $2160  
      
            		
      
            
      $864  
      
            		
   
      
   
      
      33-64
      
            
      $1360  
      
            		
      
            
      $544  
      
            		
      
            
      $2720  
      
            		
      
            
      $1088  
      
            		
   
      
   
      
      65-128
      
            
      $1680  
      
            		
      
            
      $672  
      
            		
      
            
      $3360  
      
            		
      
            
      $1344  
      
            		
   
      
   
      
      128+
      
            
      $2000  
      
            		
      
            
      $800  
      
            		
      
            
      $4000  
      
            		
      
            
      $1600  
      
            		
   
      
   
      
      PQSMol Manual (hardcopy)
      
         
       

            
      
$40 - domestic
      $50 - international      
            		
   
      
   
      
      
      		
   
      

         

    

    


     

    Scaled Quantum Mechanical (SQM) program
     

      



      
   Operating System: 
   Linux
   MacOS
   Windows

      
      


      

       
         
   
   
         Academic   
            
   
         Industry   

      

      
   SQM
       serial       		
               
   $60
   
       
      
           
           
           
           
           
           
           
           
           
           
           
           
           
           
      
      
         		
   
   $120
   
        
      
           
           
           
           
           
           
           
           
           
           
           
           
           
           
       
      
         		

      

         

     

    


     

    Convert2 program
     

      


      
   Operating System: 
   Linux
   MacOS
   Windows

      
      


      

       
         
   
   
         Academic   
            
   
         Industry   

      

      
   Convert2
               
   $60
   
       
      
           
           
           
           
           
           
           
           
           
           
           
           
           
           
      
      
         		
   
   $120
   
        
      
           
           
           
           
           
           
           
           
           
           
           
           
           
           
       
      
         		

      

         

     




     



    

    

    

   
    
   
   
   
   
   
    
    		

    

    


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    Monday, 12-Jul-10 12:15:33 PDT