List of Open Source Software which can be built on Fugaku
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Spack will be used to manage open source software packages on Fugaku.
Fugaku users can easily use pre-installed packages and built packages based on Spack recipes.
The following list shows the results of building/compiling packages for aarch64 according to the Spack recipes.
Note that the results in this list do not guarantee that each package will work properly.
On the other hand, Fujitsu will provide the following packages compiled with Fujitsu compiler on Fugaku as "external" packages, of which Spack can be aware.
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pexsi
Package
pexsi
Description
The PEXSI library is written in C++, and uses message passing interface
(MPI) to parallelize the computation on distributed memory computing
systems and achieve scalability on more than 10,000 processors. The Pole
EXpansion and Selected Inversion (PEXSI) method is a fast method for
electronic structure calculation based on Kohn-Sham density functional
theory. It efficiently evaluates certain selected elements of matrix
functions, e.g., the Fermi-Dirac function of the KS Hamiltonian, which
yields a density matrix. It can be used as an alternative to
diagonalization methods for obtaining the density, energy and forces in
electronic structure calculations.
Note
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