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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
2.4.0.5 If optimized libraries are not found
2.5 Compilation
2.6 Running tests and 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 AIX
2.7.5 IBM BlueGene
2.7.6 Linux PC
2.7.6.1 Linux PCs with gfortran
2.7.6.2 Linux PCs with g95
2.7.6.3 Linux PCs with Pathscale compiler
2.7.6.4 Linux PCs with Sun Studio compiler
2.7.6.5 Linux PCs with AMD Open64 suite
2.7.6.6 Linux PCs with Intel compiler (ifort)
2.7.6.7 Linux PCs with MKL libraries
2.7.6.8 Linux PCs with ACML libraries
2.7.7 Linux PC clusters with MPI
2.7.8 Mac OS
2.7.8.1 Detailed installation instructions for Mac OS X 10.6
2.7.8.2 Compilation with GNU compilers
2.7.8.3 Compilation with Intel compilers
Paolo Giannozzi 2017-10-23