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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.
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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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Autoconf/automake: require autoconf 2.50 or
higher
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cmake: require 1.8 or higher.
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.
| ENV |
Library |
autoconf[a] |
cmake[a] |
example |
| MKL |
Intel Math Kernel Library |
yes |
yes |
MKL=-L/usr/local/mkl-6.0.12/mkl60/lib/64
-lmkl_itp -lmkl_lapack32 -lmkl_lapack64
-lguide |
| ATLAS |
ATLAS (Automatically Tuned Linear
Algebra Software) |
n/a |
yes |
ATLAS=-L/usr/local/atlas-3.4.1/lib
-llapack -lf77blas -lcblas -latlas |
Useful links for
GNU Tools
Useful links for
compilers
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