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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 Other libraries
2.4.1 If optimized libraries are not found
2.5 Compilation
2.5.0.1 Other utilities
2.6 Running examples
2.7 Installation tricks and problems
2.7.1 All architectures
2.7.2 Cray XT machines
2.7.3 IBM AIX
2.7.4 IBM BlueGene
2.7.5 Linux PC
2.7.5.1 Linux PCs with Portland compiler (pgf90)
2.7.5.2 Linux PCs with Pathscale compiler
2.7.5.3 Linux PCs with gfortran
2.7.5.4 Linux PCs with g95
2.7.5.5 Linux PCs with Sun Studio compiler
2.7.5.6 Linux PCs with AMD Open64 suite
2.7.5.7 Linux PCs with Intel compiler (ifort)
2.7.5.8 Linux PCs with MKL libraries
2.7.5.9 Linux PCs with ACML libraries
2.7.6 Linux PC clusters with MPI
2.7.7 Intel Mac OS X
2.7.7.1 Intel Mac OS X with ifort
2.7.7.2 Intel Mac OS X 10.4 with g95 and gfortran
2.7.7.3 Detailed installation instructions for Mac OS X 10.6
2.7.8 SGI, Alpha
Build Daemon user 2011-10-18