CentOS

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Profile guided optimization

Example how describes how to use profile guided optimization to compile GPAW with gcc version 4.3.0 on CentOS 5.3:

  • starting at Developer installation, modify customize.py so extra_compile_args reads:

    opt_string = '-fprofile-generate'
    extra_compile_args =['-std=c99', opt_string]
    
  • moreover, mpicompiler must be set, and mpilinker read:

    mpilinker = mpicompiler+' '+opt_string
    
  • build GPAW’s C extensions as described at Developer installation. This will create *.gcno files in the ./build/temp.<platform>-<python-version>/c/ directory.

  • perform a test run using gpaw-python. This will create *.gcda files in the ./build/temp.<platform>-python-version/c/ directory.

  • remove object files and _gpaw.so (example for linux-i686 platform, python 2.4):

    find build/temp.linux-i686-2.4/ -name "*.o" | xargs rm
    rm -f build/lib.linux-i686-2.4/_gpaw.so
    
  • change customize.py so opt_string reads:

    opt_string = '-fprofile-use'
    

    and rebuild GPAW’s C extensions.

System wide installation with yum

Warning: this section is outdated!

The steps described below require root access and assume bash shell:

  • configure fys yum repository

  • on EL/CentOS 6 i386 or x86_64, as root:

    • install gpaw and dependencies:

      yum -y install --enablerepo=fys_el campos-gpaw
      
    • install optional packages:

      yum -y install --enablerepo=fys_el scipy ScientificPython
      
  • on EL/CentOS 5 i386 or x86_64, as root:

    • install gpaw and dependencies:

      yum -y install --enablerepo=fys_el,epel,atrpms campos-gpaw
      
    • install optional packages:

      yum -y install --enablerepo=fys_el,epel,atrpms scipy ScientificPython
      

Note

There are no new releases of fys packages after “End of Regular Life Cycle” of CentOS releases: see https://access.redhat.com/support/policy/updates/errata/