PGI Porting and Tuning Guides
The tables below contain links to either pre-built versions, or to instructions for building optimized versions of many common scientific and engineering applications, libraries, and benchmarks using PGI compilers and tools.
Please Note: 32-bit development was deprecated with the PGI 2016 release and is not available with the PGI 2017 and newer releases. Permanent licensees: the 32-bit versions shown below can still be built with 32-bit versions of the compilers available in the PGI release archive.
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| Application Version | System | PGI Tool |
|---|---|---|
| AMBER Molecular Dynamics Package | ||
| Version 8 | 32-bit/64-bit Linux | pgfortran |
| ATLAS—Automatically Tuned Linear Algebra Software | ||
| 3.9.32 | 32-bit/64-bit Linux | pgfortran/pgcc |
| 3.8.3 | 32-bit/64-bit Linux | pgfortran/pgcc |
| BLAST—Basic Local Alignment Search Tool | ||
| all | 32-bit/64-bit Linux | pgfortran |
| CESM—Community Earth System Model | ||
| 1.0.4 | 32-bit/64-bit Linux | pgfortran |
| Charm++—Parallel Programming Laboratory | ||
| 6.2 | 32-bit/64-bit Linux | pgfortran |
| CHARMM—Chemistry at Harvard Macromolecular Mechanics | ||
| c32b1 | 64-bit Linux | pgfortran/pgcc |
| c32b1 | 32-bit Linux | pgfortran/pgcc |
| c30b2 | 64-bit Linux | pgfortran/pgcc |
| c30b2 | 32-bit Linux | pgfortran/pgcc |
| FFTW—Fastest Fourier Transform in the West Library | ||
| 3.3.2 | 32-bit/64-bit Linux | pgfortran/pgcc |
| 2.1.5 | 32-bit/64-bit Linux | pgfortran/pgcc |
| GAMESS—The General Atomic and Molecular Electronic Structure System | ||
| January 12, 2009 R3 | 32-bit/64-bit Linux | pgfortran/pgcc |
| GotoBLAS Library | ||
| 2-1.13 | 32-bit/64-bit Linux | pgfortran/pgcc |
| 2-1 | 32-bit/64-bit Linux | pgfortran/pgcc |
| GROMACS—GROningen MAchine for Chemical Simulations | ||
| 4.5 | 32-bit/64-bit Linux | pgfortran/pgcc |
| HDF5 | ||
| 1.8.12 | 32-bit/64-bit Linux | pgfortran/pgcc |
| LAM/MPI—Local Area MultiComputer Message Passing Interface (MPI-1 only) | ||
|
7.1.4
|
32-bit/64-bit Linux | pgfortran/pgcc |
| MCNP5—Monte Carlo N-Particle Transport Code System | ||
|
1.40
|
32-bit/64-bit Linux | pgfortran/pgcc |
|
1.30
|
32-bit/64-bit Linux | pgfortran/pgcc |
| 1.20 | 32-bit/64-bit Linux | pgfortran/pgcc |
| MM5—PSU/NCAR Mesoscale Model | ||
| 3.6, 3.7 | 64-bit Linux | pgfortran |
| Molpro Quantum Chemistry Package | ||
| 2006.1 Using MPI | 64-bit Linux | pgfortran/pgcc |
| 2006.1 Using MPI | 32-bit Linux | pgfortran/pgcc |
| MPICH/MPICH2 | ||
| MPICH2 1.3.1 | 32-bit/64-bit Linux | pgfortran/pgcc/pgc++ |
| MPICH2 1.2.1p1 | 32-bit/64-bit Linux | pgfortran/pgcc/pgc++ |
| MPICH 1.2.7p1 | 32-bit/64-bit Linux | pgfortran/pgcc/pgc++ |
| MVAPICH/MVAPICH2 | ||
| 1.2/1.8 | 32-bit/64-bit Linux | pgfortran |
| NetCDF Libs— Network Common Data Format Access Libraries (C, C++, and Fortran) | ||
| 4.3/4.2 | 32-bit/64-bit Linux | (pre-built) |
| 4.3/4.2 | 32-bit/64-bit Linux | pgfortran/pgcc/pgc++ |
| 4.1 | 32-bit/64-bit Linux, macOS | pgfortran/pgcc |
| 4.0 | 32-bit/64-bit Linux, macOS | pgfortran/pgcc |
| 3.6.3 | 32-bit/64-bit Linux | pgfortran/pgcc |
| NWChem Computational Chemistry Package | ||
| 6.0 | 32-bit/64-bit Linux | pgfortran |
| Open MPI—The Open Source High Performance Message Passing Interface (MPI-2 only) | ||
| 1.4.3 | 32-bit/64-bit Linux | pgcc/pgc++/pgfortran |
| 1.4.1 | 32-bit/64-bit Linux | pgcc/pgc++/pgfortran |
| POP—Parallel Ocean Program | ||
|
2.0.1
|
32-bit/64-bit Linux | pgfortran/pgcc |
| SZIP Compression Library | ||
| 2.1 | 32-bit/64-bit Linux | pgcc |
| VASP—Vienna Ab initio Simulation Package | ||
| 5.2 | 32-bit/64-bit Linux | pgfortran |
| WRF—Weather Research and Forecasting Model | ||
|
Version 3.2.1
|
32-bit/64-bit Linux | pgfortran/pgcc |
| Version 3.2.1 | 32-bit/64-bit Windows | pgfortran/pgcc |
| ZLIB Compression Library | ||
| 1.2.8 | 32-bit/64-bit Linux | pgcc |
| 1.2.7 | 32-bit/64-bit Linux | pgcc |
