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Chapter 3 -- Software
 3.1 Compilers
3.2
Serial Libraries
3.3
Parallel Software
3.4
Scientific Visualization Software
3.5 Mathematical
Software
3.6 Image
Processing Software
3.7 Computational
Chemistry Software
3.1 Compilers
3.2 Serial Libraries
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Libraries
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Platforms
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Notes
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| ESSL |
AIX
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ESSL stands for Engineering and Scientific Subroutine
Library.
Manual on
ESSL
Sample
Makefile for C Programs
Sample
Makefile for Fortran Programs
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| MASS |
AIX
|
This library can provide significantly faster transcendental
functions with little impact on accuracy. To use the MASS library,
link in the alternate mass library from the /usr/lib directory by
adding the -lmass option to the compile/link line. Additional documentation
is available at usr/lpp/mass/MASS.readme |
| GL |
SGI
|
A standard graphics library for high performance
visualization. The GL software is system specific but a new emerging
OpenGL promises to be system independent. /usr/lpp/OpenGL/README |
| Open Inventor |
SGI
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A higher level interface on top of the GL software
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| Lapack |
AIX
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3.3 Parallel Software
- Message Passing:
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Libraries
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Platforms
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Notes
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| MPICH |
AIX, Linux, SGI
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A public domain MPI from Argonne National Laboratory
and Mississippi State University. The software can use the high
speed switch. shared memory, or the ethernet. |
| IBM-MPI |
SP/2
|
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| PVM |
AIX, Linux, SGI
|
It runs either shared memory or IP over the
ethernet. Examples are located in /usr/local/makefiles/pvm |
| P4 |
AIX, Linux, SGI
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A public domain message passing library from
Argonne. It runs on the high speed switch, shared memory, or over
the ethernet. Examples are located in /usr/local/makefiles/p4
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- Data Parallel Compilers
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Libraries
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Platforms
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Notes
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| IBM HPF |
AIX
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The AHPCC is running a pre-lease copy and cannot
run the general release due to hardware incompatibility. Additional
documentation is available in /usr/lpp/xlhpf/postscript |
- Parallel Libraries:
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Libraries
|
Platforms
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Notes
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| PESSL |
AIX
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PESSL stands for Parallel Engineering and Scientific
Subroutine Library. It is an IBM product, available only for RS6000
and SP architectures.
- PESSL
Manual
- Sample
Makefile for C Programs
- Sample
Makefile for Fortran77 Programs
- Sample
Makefile for Fortran90 Programs
|
| ScaLAPACK |
AIX, Linux
|
A public domain library from University of
Tennessee which implements parallel versions of many of the linear
algebra routines from LAPACK. |
| PETSc |
AIX
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A public domain library of parallel linear
algebra routines from Argonne. |
| NAG |
AIX
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A proprietary library of parallel linear algebra
routines from NAG. Early implementations ran on top of PVM, but
current versions based on MPI are being installed at the AHPCC
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| PIM |
AIX
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A public domain library of parallel iterative
methods |
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3.4 Scientific Visualization
Software
|
Libraries
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Platforms
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Notes
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| Data Explorer |
SGI
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3.5 Mathematical
Software
|
Libraries
|
Platforms
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Notes
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| Matlab |
Linux
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3.6 Image Processing
Software
|
Libraries
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Platforms
|
Notes
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| Khoros |
SGI
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3.7 Computational
Chemistry Software
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Libraries
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Platforms
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Notes
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| Gaussian |
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| NWChem |
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| GAMESS |
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| RASMOL |
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Copyright 1998, High Performance Computing Education
and Research Center
June 1998 editor@arc.unm.edu
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