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2.1 Download
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User's Guide for Quantum-ESPRESSO
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1.4 Terms of use
Contents
2 Installation
Subsections
2.1 Download
2.2 Prerequisites
2.3
configure
2.3.1 Manual configuration
2.4 Libraries
2.4.0.1 BLAS and LAPACK
2.4.0.2 FFT
2.4.0.3 MPI libraries
2.4.0.4 Libraries for accelerators
2.4.0.5 HDF5
2.4.0.6 Other libraries
2.4.0.7 If optimized libraries are not found
2.5 Compilation
2.6 Running tests and examples
2.6.1 Test-suite
2.6.2 Examples
2.7 Installation tricks and problems
2.7.1 All architectures
2.7.2 Intel Xeon Phi
2.7.3 Cray machines
2.7.4 IBM BlueGene
2.7.5 Linux PC
2.7.5.1 Linux PCs with gfortran
2.7.5.2 Linux PCs with Intel compiler (ifort)
2.7.5.3 Linux PCs with MKL libraries
2.7.5.4 Linux PCs with ACML libraries
2.7.6 Linux PC clusters with MPI
2.7.7 Microsoft Windows
2.7.8 Mac OS