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 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 1.2.7p1 32-bit/64-bit Linux pgf90/pgcc/pgCC 7.1
MPICH 1.2.6/1.2.7 32-bit/64-bit Linux pgf90/pgcc/pgCC 6.0, 6.1,6.2
MPICH2 1.0.4 32-bit/64-bit Linux pgf90/pgcc/pgCC 6.2 ,7.1
  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
  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
  POP - Parallel Ocean Program
2.0.1
32-bit/64-bit Linux pgf90/pgcc 5.2 or later
  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