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Install
Check out Frequently asked questions if you
have any question.
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Configuration: Details on the configuration
and installation are available in developers' guides or Quick
Start
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Compile: Once configuration using
autoconf/automake or cmake is successful,
simply make
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Run: A successful compilation creates an
executable bin/ohmmsapp.
Compile ohmms libraries and applications:
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C/C++ compilers (gcc 2.96 or higher, KCC,
intel compilers 7/8, IBM Visual Age, SGI, or
DEC).
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f77 compiler to enable tight-binding
potentials or phonon calculations. (Even g77
works!)
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Numerical library: lapack or equivalents.
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libxml2 (Controls the I/O of ohmms)
Configuration tools:
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cmake : require 1.8 or higher.
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Autoconf/automake: require autoconf 2.50 or
higher
![[Note]](../graphics/note.gif)
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Note
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Using cmake is highly recommended: it is
very easy to customize the configuration
for the user environments.
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Setting environment
variables
Configuration steps check following environment
variables first to link external libraries. On
HPC centers, these environment variables are
automatically set by using module or softenv. The variable names
themselves vary on different systems. Simply
assign the corresponding variable to what
configure or cmake accepts.
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The entry order is the search order, i.e., if
MKL is successful, ATLAS is ignored. Autoconf
is fairly good at finidng the numerical
libraries. However, cmake does not have any
standard module to find them. If none of the
variables are set, it will try to find the
path for lapack and blas and link with
"-llapack -lblas".
Table 1. Numerical libraries:
lapack and blas.
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ENV
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Library
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autoconf[a]
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cmake[a]
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example
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MKL
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Intel Math Kernel Library
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yes
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yes
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MKL=-L/usr/local/mkl-6.0.12/mkl60/lib/64
-lmkl_itp -lmkl_lapack32
-lmkl_lapack64 -lguide
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ATLAS
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ATLAS (Automatically Tuned Linear
Algebra Software)
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n/a
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yes
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ATLAS=-L/usr/local/atlas-3.4.1/lib
-llapack -lf77blas -lcblas -latlas
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Useful links for GNU
Tools
Useful links for
compilers
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