Tips & Techniques

The tables below contain links to using and optimizing PGI compilers and tools with many common scientific and engineering applications, libraries, and benchmarks. Contact PGI support to suggest additions to this list.

AMBER ATLAS CHARMM GAMESS LAM/MPI
MCNP5 MM5 Molpro MPICH/MPICH2 NetCDF
OPENGL Open MPI POP STAR-CD WRF

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
3.6.0 32-bit/64-bit Linux pgf90/pgcc 5.2
3.7.8 32-bit/64-bit Linux pgf90/pgcc 6.0
  CHARMM - Chemistry at Harvard Macromolecular Mechanics
v30b2 32-bit Linux pgf90/pgcc 5.2, 6.0, 7.0, 7.1
v30b2 64-bit Linux pgf90/pgcc 5.2, 6.0, 7.0, 7.1
v32b1 32-bit Linux pgf90/pgcc 7.1
v32b1 64-bit Linux pgf90/pgcc 7.1
  GAMESS - The General Atomic and Molecular Electronic Structure System
December 12, 2003 32-bit Linux pgf77/pgf90/pgcc 5.x
May 14, 2004 32-bit Linux pgf77/pgf90/pgcc 5.2
November 22, 2004 32-bit Linux pgf77/pgf90/pgcc 6.0
December 12, 2003 64-bit Linux pgf77/pgf90/pgcc 5.x
May 14, 2004 64-bit Linux pgf77/pgf90/pgcc 5.2
November 22, 2004 64-bit Linux pgf77/pgf90/pgcc 6.0
  LAM/MPI - Local Area MultiComputer Message Passing Interface (MPI 1 only)
7.1.4
32-bit/64-bit Linux pgf90/pgcc/pgf77pgf90 7.1
  MCNP5 - Monte Carlo N-Particle Transport Code System
1.20
32-bit/64-bit Linux pgf90/pgcc 5.2
1.30
32-bit/64-bit Linux pgf90/pgcc 6.0, 6.1, 6.2
1.40
32-bit/64-bit Linux pgf90/pgcc 6.1, 6.2,7.0, 7.1
  MM5 - PSU/NCAR mesoscale model
3.6 32-bit Linux pgf90 5.x
3.7 32-bit Linux pgf90 6.0 or later
3.6 64-bit Linux pgf90 5.x
3.7 64-bit Linux pgf90 6.0 or later
  Molpro Quantum Chemistry Package
2002.6 32-bit Linux pgf90/pgcc 5.2, 6.0, 6.1, 7.1
2002.6 64-bit Linux pgf90/pgcc 5.2, 6.0, 6.1
2002.6 Using MPI 32-bit Linux pgf90/pgcc 6.1
2002.6 Using MPI 64-bit Linux pgf90/pgcc 6.1
2006.1 32-bit Linux pgf90/pgcc 7.1
2006.1 64-bit Linux pgf90/pgcc 7.1
2006.1 Using MPI 32-bit Linux pgf90/pgcc 7.1
2006.1 Using MPI 64-bit Linux pgf90/pgcc 7.1
  MPICH/MPICH2
MPICH 1.2.6/1.2.7 32-bit/64-bit Linux pgf90/pgcc/pgCC 6.0, 6.1,6.2
MPICH 1.2.7p1 32-bit/64-bit Linux pgfortran/pgcc/pgCC 9.0
MPICH2 1.0.4 32-bit/64-bit Linux pgf90/pgcc/pgCC 6.2 ,7.1
MPICH2 1.1 32-bit/64-bit Linux pgf90/pgcc/pgCC 8.0 ,9.0
  NetCDF - The Network Common Data Form array-oriented data access libraries
3.5.1
32-bit Linux pgf90/pgcc 5.x
3.5.1 64-bit Linux pgf90/pgcc 5.x
3.6.0-p1 32-bit/64-bit Linux pgf90/pgcc 6.0, 6.1, 6.2
3.6.2 32-bit/64-bit Linux pgf90/pgcc 7.1, 8.0
3.6.2 32-bit/64-bit Linux pgfortran/pgcc 9.0
4.0 32-bit/64-bit Linux pgf90/pgcc 8.0
4.0 32-bit/64-bit Linux, Mac OS X pgfortran/pgcc 9.0
4.0 32-bit/64-bit Linux, Mac OS X pgfortran/pgcc 2010
4.0 32-bit/64-bit Windows pgfortran/pgcc 2010
  OPENGL - The OpenGL F90 graphics libraries
1.2.7 32-bit/64-bit Linux pgf90 5.0
1.2.9 32-bit/64-bit Linux pgf90 6.0
  Open MPI - The Open Source High Performance Message Passing Interface (MPI-2 only)
1.2.5 32-bit/64-bit Linux pgcc/pgCC/pgf77/pgf90 7.1
1.3.2 32-bit/64-bit Linux pgcc/pgCC/pgf77/pgf90 8.0
1.3.2 32-bit/64-bit Linux pgcc/pgCC/pgfortran 9.0
  POP - Parallel Ocean Program
2.0.1
32-bit/64-bit Linux pgf90/pgcc 5.2 or later
  STAR-CD Fluid Dynamics to Structural-Mechanics
V4
32-bit/64-bit Linux pgf90/pgcc 6.2-4
  WRF - Weather Research and Forecasting Model
Version 2.0.2
64-bit and 32-bit Linux pgf90/pgcc 5.2-2
Version 2.1
64-bit and 32-bit Linux pgf90/pgcc 6.1
Version 2.1
64-bit and 32-bit Linux pgf90/pgcc 7.1
Version 3.0.1.1
64-bit and 32-bit Linux pgf90/pgcc 8.0
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