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2.6 Compilation
The compiled codes can run with any input: almost all variables are
dinamically allocated at run time. Only a few variables have fixed
dimensions, set in file Modules/parameters.f90:
      ntypx  = 10,     &! max number of different types of atom
      npsx   = ntypx,  &! max number of different PPs (obsolete)
      nsx    = ntypx,  &! max number of atomic species (CP)
      npk    = 40000,  &! max number of k-points
      lmaxx  = 3,      &! max non local angular momentum (l=0 to lmaxx)
      lqmax= 2*lmaxx+1  ! max number of angular momenta of Q
These values should work for the vast majority of cases. In case you need
more atomic types or more k-points, edit this file and recompile.
At your choice, you may compile the complete QUANTUM ESPRESSO suite of programs
(with make all), or only some specific programs.
All executables are linked in main bin directory.
make with no arguments yields a list of valid compilation targets:
- make pw  self-consistent-field package PWscf
- make cp  Car-Parrinello package CP
- make neb PWneb package
- make ph  PHonon package
- make pp  postprocessing package PostProc
- make pwcond ballistic conductance package 
	                PWcond
- make pwall all of the above
- make hp    HP package. 
- make tddfpt TD-DFPT package. 
- make ld1  pseudopotential generator package 
	                 atomic.
- make xspectra package XSpectra.
- make all all of the above
- make epw package EPW - prerequisite
	package wannier90 is compiled as well
- make w90 downloads wannier90, unpacks it, copies an appropriate
                       make.inc file,  produces all executables
                       in W90/wannier90.x and in bin/
- make want downloads WanT, unpacks it, runs its 
	                 configure,
                         produces all executables for WanT in
                         WANT/bin.
- make yambo downloads yambo,
			  unpacks it, runs its configure,
                          produces all yambo executables in
                          YAMBO/bin
- make gipaw downloads GIPAW,
                          unpacks it, runs its configure,
                          produces all GIPAW executables in
                          GIPAW/bin and in main bin directory.
- make plumed unpacks PLUMED, patches several routines
                           in PW/, CPV/ and clib/,
                           recompiles PWscf and CP with PLUMED
                           support
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 sources from the git repository, 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 uncompressing them,
and try make again. Also see Sec.(2.1).
 
 
 
 
 
 
 
  
 Next: 2.7 Running tests and
 Up: 2 Installation
 Previous: 2.5 Libxc library
     Contents