2.5 Compilation
Keywords: user_guide

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2.5 Compilation

There are a few adjustable parameters in `Modules/parameters.f90`. The present values will work for most cases. All other variables are dynamically allocated: you do not need to recompile your code for a different system.

At your choice, you may compile the complete QUANTUM ESPRESSO suite of programs (with `make all`), or only some specific programs. `make` with no arguments yields a list of valid compilation targets:

- `make pw` compiles the self-consistent-field package `PWscf`
- `make cp` compiles the Car-Parrinello package `CP`
- `make neb` downloads `PWneb` package from `qe-forge` unpacks it and compiles it. All executables are linked in main `bin` directory
- `make ph` downloads `PHonon` package from `qe-forge` unpacks it and compiles it. All executables are linked in main `bin` directory
- `make pp` compiles the postprocessing package `PostProc`
- `make pwcond` downloads the balistic conductance package `PWcond` from `qe-forge` unpacks it and compiles it. All executables are linked in main `bin` directory
- `make pwall` produces all of the above.
- `make ld1` downloads the pseudopotential generator package `atomic` from `qe-forge` unpacks it and compiles it. All executables are linked in main `bin` directory
- `make xspectra` downloads the package `XSpectra` from `qe-forge` unpacks it and compiles it. All executables are linked in main `bin` directory
- `make upf` produces utilities for pseudopotential conversion in directory `upftools/`
- `make all` produces all of the above
- `make plumed` unpacks `PLUMED`, patches several routines in `PW/`, `CPV/` and `clib/`, recompiles `PWscf` and `CP` with `PLUMED` support
- `make w90` downloads `wannier90`, unpacks it, copies an appropriate `make.sys` file, produces all executables in `W90/wannier90.x` and in `bin/`
- `make want` downloads `WanT` from `qe-forge`, unpacks it, runs its `configure`, produces all executables for `WanT` in `WANT/bin`.
- `make yambo` downloads `yambo` from `qe-forge`, unpacks it, runs its `configure`, produces all `yambo` executables in `YAMBO/bin`
- `make gipaw` downloads `GIPAW` from `qe-forge`, unpacks it, runs its `configure`, produces all `GIPAW` executables in `GIPAW/bin` and in main `bin` directory.

For the setup of the GUI, refer to the `PWgui-X.Y.Z /INSTALL` file, where X.Y.Z stands for the version number of the GUI (should be the same as the general version number). If you are using the SVN sources, see the `GUI/README` file instead.

If `make` refuses for some reason to download additional packages, manually download them into subdirectory `archive/`, not unpacking or or uncompressing them, and try `make` again. Also see Sec.(2.1).

Next: 2.6 Running tests and Up: 2 Installation Previous: 2.4 Libraries Contents