• Fortran Compilers: Intel ifort v. 10.0, v 11.1, and v. 12.0 as well as Portland Group pgf95 v.7.1

• Fortran Compilers: Portland Group pgf95 v.7.1

You can obtain a copy of Hibridon 4.3 as a g'zipped tar archive in binary format (~1 MB)

• If you are installing on a platform that uses the Intel fortan compiler, make sure that the compiler environment is properly set up.
  • For ifort v. 10, this is explained in the directory ...intel/fce/{version}/doc/INSTALL.htm#settingup.
    Specifically, the scripts
    • ...intel/fce/{version}/bin/ifortvars.sh(.csh)
    • ...intel/fce/{version}/bin/idbvars.sh(.csh)
    should be executed. The "fce" directories contain the 64 bit versions of the compiler. As can be seen in , the 64 bit code executed ~ 1.5 times faster than the 32 bit code (invoked by sourceing the "fc" rather than "fce" files).
  • For ifort v. 11 (testing has been done with v. 11.0.064, 11.1.058, 11.1.076, 11.1.089) this is explained in the file /opt/intel/Compiler/11.1/xxx/Documentation/en_US/documentation_f.htm.
    Specifically, the scripts
    • source /opt/intel/Compiler/11.1/xxx/bin/ifortvars.csh intel64
    • source /opt/intel/Compiler/11.1/xxx/bin/ifortvars.sh intel64
    should be executed (by source'ing these commands) in your .profile (.login) file.
  • For ifort v. 12 (testing has been done with v. 12.0.0) this is explained in the file /opt/intel/composerxe-2011.0.085/Documentation/en_US/documentation_f.htm.
    Specifically, the scripts
    • source /opt/intel/bin/compilervars.csh intel64
    • source /opt/intel/bin/ifortvars.csh intel64
    • source /opt/intel/bin/compilervars.sh intel64
    • source /opt/intel/bin/ifortvars.sh intel64
    should be executed (by source'ing these commands) in your .profile (.login) file.
    • For Apple OSX 10.5 (Leopard), Hibridon works with version 10.1 of the Intel Compiler under both 32 bit ( .../intel/fc) and 64 bit ( .../intel/fce) modes, as well as with version 11.0 under 64 bit mode.
    • For Apple OSX 10.6 (Snow Leopard), Hibridon works with version 10.1 of the Intel Compiler under 32 bit ( .../intel/fc) mode as well as with version 11.1 and 12 under 64 bit mode.
  • You will need to have a local BLAS and LAPACK library
    • If you are planning to use Intel's MKL library, make sure that the required environment variables are properly set, as explained in the file userguide.pdf.
      • On Apple machines and ifort version 10 or 11 this is located in /Library/Frameworks/Intel_MKL.framework/Documentation. If you are using the 64 bit compiler, you should use the 64 bit (em64t) MKL libraries, rather than the 32 bit libraries.
      • On Apple machines and ifort version 12 this is located in /opt/intel/composerxe-2011.0.085/Documentation/en_US/documentation_f.htm
      • On Intel Linux platforms, you may have to ask your system administrator where this file is located.
    • On Apple Intel platforms running ifort 10.x or 11.x, the command to set the required MKL environment variables is
      • source /opt/intel/Compiler/1X.y/zzz/Frameworks/mkl/tools/environment/mklvarsem64t.csh
      • Or, for 32 bit source /opt/intel/Compiler/11.0/064/Frameworks/mkl/tools/environment/mklvars32.csh
    • On Apple Intel platforms running ifort 12.x, the command to set the required MKL environment variables is
      • source /opt/intel/mkl/bin/intel64/mklvars_intel64.csh
    • If you are using the Portland Group compiler and planning to use the ACML Library, you may have to ask your system administrator where the library is located.

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  After you have obtained the g'zipped archive, follow these steps:
  1. Create a main hibridon directory. We shall designate this here as hib43x, although you can give it any name you want.
  2. Move the g'zipped tar archive into this directory
  3. Uncompress and unpack the tar archive
     gunzip hib4.3.tar.gz |tar xvf -

  4. The Hibridon^© hypertext help facility (a copy of the help facility you are reading here) is contained in the directory
     hib43x/doc/hib_html.

     The initial target file for your web browser should be

     hib43x/doc/hib_html/index.html

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  5. Extend your PATH environmental variable to include the bin subdirectory of your main hibridon directory, that is hib43x/bin

  6. Read the license agreement. If you do not accept all provisions of this agreement, stop here and destroy the software. If you accept the license agreement, please read the instructions for acknowledgement of the code in any future publications from your group that use the Hibridon^© package.
     

  7. cd to the subdirectory hib43x/bin.

  8. Execute the command
     makefirst

     This creates a number of local configuration files.

     • You will be asked if you accept the license. Respond "yes" if you accept, otherwise destroy the software.

     • You will also be asked to supply
       • The name of your FORTRAN compiler (the install script will suggest a default name, which you can change)
       • The name of your C compiler (the install script will suggest a default name, which you can change)
       • The path of your BLAS and LAPACK libraries (the install script will suggest a default name, which you can change)

     The script makefirst will create the file CONFIG in your top-level Hibridon directory. You should inspect this file to make sure you agree with the choice of compilers, compiler options, and BLAS/LAPACK libraries. Several default CONFIG files are supplied for reference, or in case the makefirst script does not execute properly at your installation.

     The makefirst script will create a CONFIG file suitable for either a 64-bit or 32-bit. This choice will depend on what your default compiler is (which you can verify by the command which ifort).

  9. Execute the command
     hib_makeobj

     This compiles all the hibridon^© source code and creates the on-line executable hib43x/bin/hib_help. The file hib43x/obj.log contains a log of the compilation, in case of failure. Check this log to search for any compiler errors.

     To obtain help at any time you can either

     1. Execute the command hib_help and follow instructions.
     2. Use a Web Browser to read the Hibridon^© HTML help library.

  10. Test your code by executing the command
      hibtest

      which runs a series of test calculations. After the tests are run, the results are saved in the directory hib43x/testnew. All files in this directory should be compared with the canonical results, which are stored in the directory hib43x/tests.
      • On Apple platforms this comparison can be done graphically, using Apple's FileMerge application, by executing the command
        compare_OSX

      • On non-Apple platforms, this comparison can be done by excuting the command
        compare.com

      The comparison between the files in ../tests and those in ../testnew should agree to within at least 6 significant figures.

  11. You are now ready to link and run your own code for your particular scattering problem. Use one of the potential subroutines in the directory hib43x/src/pot as a guide for writing your own. You will certainly find it helpful to consult the Basis and Systems help files.

  12. You can run several timing benchmarks by the command hib_timer and compare with the results obtained on other platforms (as discussed in more detail on the benchmark page).

  13. Good luck!

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  Please report all bugs that you may find. They will (hopefully) be eliminated in a timely manner.

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