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Multilevel Parallel Autodock4.2
This page contains binaries and source code for MPI/OpenMP or OpenMP-only parallelized versions of AutoDock 4.2 for the IBM BlueGene/P and POWER7 systems, as described in placeholder for bibliographic reference.
Please read README.ibm included in MPAutoDock.zip for more info.
Binaries for IBM BlueGene/P:
- download autodock4-bgp-omp-mpi the BGP hybrid-parallelization version using MPI and OpenMP (13.2 MB)
- download autodock4-bgp-omp-nompi the BGP OpenMP-only parallelization version for doing just 1 docking (4.1 MB)
- download autodock4-power7-omp-nompi the POWER7 OpenMP-only parallelization version for doing just 1 docking (74.2 MB)
To build these binaries, download source package MPAutoDock.zip (452KB).
Uncompress (unzip) MPAutoDock.zip, which creates a new directory MPAutoDock. Then, in that directory, for BlueGene/P type:
- make autodock4-bgp-omp-mpi
- make autodock4-bgp-omp-nompi
- make autodock4-power7-omp-nompi
Please read README.ibm included in MPAutoDock.zip for more info.
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