Tips & Techniques
The tables below contain links to building optimized versions of many common scientific and engineering applications, libraries, and benchmarks using PGI compilers and tools. Contact PGI support to suggest additions to this list.
| AMBER | ATLAS | BLAST | CESM | Charm++ |
| CHARMM | FFTW | GAMESS | GotoBLAS | Gromacs |
| HDF5 | LAM/MPI | MCNP5 | MM5 | Molpro |
| MPICH | MVAPICH | NetCDF | NWChem | Open MPI |
| POP | SZIP | VASP | WRF | ZLIB |
| Application Version | System | PGI Tool | PGI Versions |
| AMBER Molecular Dynamics Package | |||
|---|---|---|---|
| Version 8 | 32-bit/64-bit Linux | pgf90 | 5.2, 6.0 or later |
| ATLAS—Automatically Tuned Linear Algebra Software | |||
| 3.9.32 | 32-bit/64-bit Linux | pgf90/pgcc | 2011 |
| 3.8.3 | 32-bit/64-bit Linux | pgf90/pgcc | 9.0 |
| BLAST—Basic Local Alignment Search Tool | |||
| all | 32-bit/64-bit Linux | pgfortran | 2012 |
| CESM—Community Earth System Model | |||
| 1.0.4 | 32-bit/64-bit Linux | pgfortran | 2012 |
| Charm++—Basic Local Alignment Search Tool | |||
| 6.2 | 32-bit/64-bit Linux | pgfortran | 2011 |
| CHARMM—Chemistry at Harvard Macromolecular Mechanics | |||
| v32b1 | 64-bit Linux | pgf90/pgcc | 7.1 |
| v32b1 | 32-bit Linux | pgf90/pgcc | 7.1 |
| v30b2 | 64-bit Linux | pgf90/pgcc | 5.2, 6.0, 7.0, 7.1 |
| v30b2 | 32-bit Linux | pgf90/pgcc | 5.2, 6.0, 7.0, 7.1 |
| FFTW—Fastest Fourier Transform in the West Library | |||
| 3.3.2 | 32-bit/64-bit Linux | pgfortran/pgcc | 2012 |
| 2.1.5 & 3.2.2 | 32-bit/64-bit Linux | pgfortran/pgcc | 2011 |
| 2.1.5 & 3.2.2 | 32-bit/64-bit Linux | pgf90/pgcc | 2010 |
| GAMESS—The General Atomic and Molecular Electronic Structure System | |||
| January 12, 2009 R3 | 32-bit/64-bit Linux | pgfortran/pgcc | 2010 |
| November 22, 2004 | 64-bit Linux | pgf77/pgf90/pgcc | 6.0 |
| GotoBLAS Library | |||
| 2-1.13 | 32-bit/64-bit Linux | pgfortran/pgcc | 2012 |
| 2-1 | 32-bit/64-bit Linux | pgf77/pgf90/pgcc | 2010 |
| GROMACS | |||
| 4.5 | 32-bit/64-bit Linux | pgfortran/pgcc | 2011 |
| HDF5 | |||
| 1.8.10 | 32-bit/64-bit Linux | pgfortran/pgcc | 2012 |
| LAM/MPI—Local Area MultiComputer Message Passing Interface (MPI-1 only) | |||
|
7.1.4
|
32-bit/64-bit Linux | pgfortran/pgcc | 2011 |
|
7.1.4
|
32-bit/64-bit Linux | pgf90/pgcc/pgf77pgf90 | 7.1 |
| MCNP5—Monte Carlo N-Particle Transport Code System | |||
|
1.40
|
32-bit/64-bit Linux | pgf90/pgcc | 6.1, 6.2, 7.0, 7.1 |
|
1.30
|
32-bit/64-bit Linux | pgf90/pgcc | 6.x |
|
1.20
|
32-bit/64-bit Linux | pgf90/pgcc | 5.2 |
| MM5 - PSU/NCAR Mesoscale Model | |||
| 3.6, 3.7 | 64-bit Linux | pgfortran | 2011 |
| 3.6, 3.7 | 64-bit Linux | pgf90 | 2010 |
| Molpro Quantum Chemistry Package | |||
| 2006.1 Using MPI | 64-bit Linux | pgf90/pgcc | 7.1 |
| 2006.1 Using MPI | 32-bit Linux | pgf90/pgcc | 7.1 |
| 2006.1 | 64-bit Linux | pgf90/pgcc | 7.1 |
| 2006.1 | 32-bit Linux | pgf90/pgcc | 7.1 |
| MPICH/MPICH2 | |||
| MPICH2 1.3.1 | 32-bit/64-bit Linux | pgfortran/pgcc/pgCC | 2011 |
| MPICH2 1.2.1p1 | 32-bit/64-bit Linux | pgfortran/pgcc/pgCC | 2010 |
| MPICH 1.2.7p1 | 32-bit/64-bit Linux | pgfortran/pgcc/pgCC | 2011 |
| MVAPICH/MVAPICH2 | |||
| 1.2/1.8 | 32-bit/64-bit Linux | pgfortran | 2011 |
| NetCDF—The Network Common Data Form Array-Oriented Data Access Libraries | |||
| 4.1 | 32-bit/64-bit Linux, Mac OS X | pgfortran/pgcc | 2012 |
| 4.0 | 32-bit/64-bit Windows | pgfortran/pgcc | 2010 |
| 4.0 | 32-bit/64-bit Linux, Mac OS X | pgfortran/pgcc | 2010 |
| 3.6.3 | 32-bit/64-bit Linux | pgfortran/pgcc | 2012 |
| NWChem Computation Chemistry Package | |||
| 6.0 | 32-bit/64-bit Linux | pgfortran | 2011 |
| Open MPI—The Open Source High Performance Message Passing Interface (MPI-2 only) | |||
| 1.4.3 | 32-bit/64-bit Linux | pgcc/pgCC/pgfortran | 2011 |
| 1.4.1 | 32-bit/64-bit Linux | pgcc/pgCC/pgfortran | 2010 |
| POP—Parallel Ocean Program | |||
|
2.0.1
|
32-bit/64-bit Linux | pgfortran/pgcc |
2012
|
| SZIP Compression Library | |||
| 2.1 | 32-bit/64-bit Linux | pgcc | 2012 |
| VASP—Vienna Ab initio Simulation Package | |||
| 5.2 | 32-bit/64-bit Linux | pgfortran | 2010 |
| WRF—Weather Research and Forecasting Model | |||
|
Version 3.2.1
|
32-bit/64-bit Linux | pgfortran/pgcc | 2011 |
|
Version 3.2.1
|
32-bit/64-bit Windows | pgfortran/pgcc | 2011 |
|
Version 3.2.1
|
32-bit/64-bit Linux | pgfortran/pgcc | 2010 |
| ZLIB Compression Library | |||
| 1.2.7 | 32-bit/64-bit Linux | pgcc | 2012 |