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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 Installing Q
UANTUM
ESPRESSO
Subsections
2.1 Download
2.2 Installation
2.3
configure
2.3.1 Libraries
2.3.1.1 BLAS and LAPACK
2.3.1.2 FFT
2.3.1.3 MPI libraries
2.3.1.4 Other libraries
2.3.2 Manual configuration
2.4 Compilation
2.4.0.1 Other utilities
2.5 Running examples
2.6 Installation tricks and problems
2.6.1 All architectures
2.6.2 IBM AIX
2.6.3 Linux PC
2.6.3.1 Linux PCs with Portland Group compiler (pgf90)
2.6.3.2 Linux PCs with Pathscale compiler
2.6.3.3 Linux PCs with gfortran
2.6.3.4 Linux PCs with Intel compiler (ifort, formerly ifc)
2.6.3.5 Linux PCs with MKL libraries
2.6.3.6 Fun with precompiled libraries
2.6.4 AMD 32-bit CPUs
2.6.5 64-bit CPUs
2.6.6 Linux PC clusters with MPI
2.6.7 Intel Mac OS X
2.6.7.1 Intel Mac OS X with ifort
2.6.7.2 Intel Mac OS X 10.4 and 10.5 with g95 and gfortran
Paolo Giannozzi 2010-04-08