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1 Introduction
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User's Guide for Quantum-ESPRESSO
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User's Guide for Quantum-ESPRESSO
Contents
1 Introduction
1.1 People
1.2 Contacts
1.3 Guidelines for posting to the mailing list
1.4 Terms of use
2 Installation
2.1 Download
2.2 Prerequisites
2.3 configure
2.3.1 Manual configuration
2.4 Libraries
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
2.7.6 Linux PC clusters with MPI
2.7.7 Microsoft Windows
2.7.8 Mac OS
3 Parallelism
3.1 Understanding Parallelism
3.2 Running on parallel machines
3.3 Parallelization levels
3.3.1 Understanding parallel I/O
3.4 Tricks and problems
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