Tips & Techniques

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.

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
c32b1 64-bit Linux pgf90/pgcc 7.1
c32b1 32-bit Linux pgf90/pgcc 7.1
c30b2 64-bit Linux pgf90/pgcc 5.2, 6.0, 7.0, 7.1
c30b2 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
1.8.12 32-bit/64-bit Linux pgfortran/pgcc 2014
  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 Libs— Network Common Data Format Access Libraries (C, C++, and Fortran)
4.3/4.2 32-bit/64-bit Linux (pre-built) current
4.3/4.2 32-bit/64-bit Linux pgfortran/pgcc/pgc++ 2014
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
1.2.8 32-bit/64-bit Linux pgcc 2014
1.2.7 32-bit/64-bit Linux pgcc 2012
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