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\contentsline {section}{\numberline {1}Introduction}{2}{section.1}
\contentsline {subsection}{\numberline {1.1}People}{3}{subsection.1.1}
\contentsline {subsection}{\numberline {1.2}Contacts}{4}{subsection.1.2}
\contentsline {subsection}{\numberline {1.3}Guidelines for posting to the mailing list}{4}{subsection.1.3}
\contentsline {subsection}{\numberline {1.4}Terms of use}{5}{subsection.1.4}
\contentsline {section}{\numberline {2}Installation}{5}{section.2}
\contentsline {subsection}{\numberline {2.1}Download}{6}{subsection.2.1}
\contentsline {subsection}{\numberline {2.2}Prerequisites}{7}{subsection.2.2}
\contentsline {subsection}{\numberline {2.3}\texttt {configure}}{7}{subsection.2.3}
\contentsline {subsubsection}{\numberline {2.3.1}Manual configuration}{9}{subsubsection.2.3.1}
\contentsline {subsection}{\numberline {2.4}Libraries}{10}{subsection.2.4}
\contentsline {paragraph}{BLAS and LAPACK}{10}{section*.2}
\contentsline {paragraph}{FFT}{10}{section*.3}
\contentsline {paragraph}{MPI libraries}{11}{section*.4}
\contentsline {paragraph}{Other libraries}{11}{section*.5}
\contentsline {paragraph}{If optimized libraries are not found}{11}{section*.6}
\contentsline {subsection}{\numberline {2.5}Compilation}{11}{subsection.2.5}
\contentsline {subsection}{\numberline {2.6}Running tests and examples}{12}{subsection.2.6}
\contentsline {subsection}{\numberline {2.7}Installation tricks and problems}{14}{subsection.2.7}
\contentsline {subsubsection}{\numberline {2.7.1}All architectures}{14}{subsubsection.2.7.1}
\contentsline {subsubsection}{\numberline {2.7.2}Cray XE and XT machines}{14}{subsubsection.2.7.2}
\contentsline {subsubsection}{\numberline {2.7.3}IBM AIX}{15}{subsubsection.2.7.3}
\contentsline {subsubsection}{\numberline {2.7.4}IBM BlueGene}{15}{subsubsection.2.7.4}
\contentsline {subsubsection}{\numberline {2.7.5}Linux PC}{15}{subsubsection.2.7.5}
\contentsline {paragraph}{Linux PCs with Portland compiler (pgf90)}{16}{section*.7}
\contentsline {paragraph}{Linux PCs with Pathscale compiler}{16}{section*.8}
\contentsline {paragraph}{Linux PCs with gfortran}{16}{section*.9}
\contentsline {paragraph}{Linux PCs with g95}{17}{section*.10}
\contentsline {paragraph}{Linux PCs with Sun Studio compiler}{17}{section*.11}
\contentsline {paragraph}{Linux PCs with AMD Open64 suite}{17}{section*.12}
\contentsline {paragraph}{Linux PCs with Intel compiler (ifort)}{17}{section*.13}
\contentsline {paragraph}{Linux PCs with MKL libraries}{18}{section*.14}
\contentsline {paragraph}{Linux PCs with ACML libraries}{18}{section*.15}
\contentsline {subsubsection}{\numberline {2.7.6}Linux PC clusters with MPI}{18}{subsubsection.2.7.6}
\contentsline {subsubsection}{\numberline {2.7.7}Mac OS}{19}{subsubsection.2.7.7}
\contentsline {paragraph}{Detailed installation instructions for Mac OS X 10.6}{19}{section*.16}
\contentsline {paragraph}{Compilation with GNU compilers}{19}{section*.17}
\contentsline {paragraph}{Compilation with Intel compilers}{20}{section*.18}
\contentsline {section}{\numberline {3}Parallelism}{21}{section.3}
\contentsline {subsection}{\numberline {3.1}Understanding Parallelism}{21}{subsection.3.1}
\contentsline {subsection}{\numberline {3.2}Running on parallel machines}{21}{subsection.3.2}
\contentsline {subsection}{\numberline {3.3}Parallelization levels}{22}{subsection.3.3}
\contentsline {paragraph}{About communications}{23}{section*.19}
\contentsline {paragraph}{Choosing parameters}{23}{section*.20}
\contentsline {paragraph}{Massively parallel calculations}{23}{section*.21}
\contentsline {subsubsection}{\numberline {3.3.1}Understanding parallel I/O}{24}{subsubsection.3.3.1}
\contentsline {subsection}{\numberline {3.4}Tricks and problems}{24}{subsection.3.4}
\contentsline {paragraph}{Trouble with input files}{24}{section*.22}
\contentsline {paragraph}{Trouble with MKL and MPI parallelization}{25}{section*.23}
\contentsline {paragraph}{Trouble with compilers and MPI libraries}{25}{section*.24}
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