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. Contact PGI support using our online technical support request form to suggest additions to this list.

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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++—Basic Local Alignment Search Tool
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
November 22, 2004 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
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 Windows pgfortran/pgcc
4.0 32-bit/64-bit Linux, macOS pgfortran/pgcc
3.6.3 32-bit/64-bit Linux pgfortran/pgcc
NWChem Computation 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
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