Compiler options
The compiler options specify by compiler variables that set the compiler and compiler flags you want to use. The Fortran compiler will then be invoked as:
$(FC) $(FREE) $(FFLAGS) $(OFLAG) $(INCS)
Compiler variables
FC
- The command to invoke your Fortran compiler (e.g.
gfortran
,ifort
,mpif90
,mpiifort
, ... ).
FCL
- The command that invokes the linker. In most cases:
FCL=$(FC) [+ some options]
OFLAG
- The general level of optimization (default:
OFLAG=-O2
).
FFLAGS
- Additional compiler flags. To enable debugging, for instance, the following line could be added:
FFLAGS+=-g
OFLAG_IN
- (default:
-O2
) In the vast majority ofmakefile.include
files this variable is set: OFLAG_IN=$(OFLAG)
DEBUG
- The optimization level with which the main program (main.F) will be compiled, usually:
DEBUG=-O0
INCS
- Use this variable to specify objects to be included in the sense of:
INCS=-I/path/to/directory-with-files-to-be-included
FREE
- Specify the options that your Fortran compiler needs for it to accept free-form source layout, without line-length limitation. For instance:
- Using Intel's Fortran compiler:
FREE=-free -names lowercase
- Using gfortran:
FREE=-ffree-form -ffree-line-length-none
Special rules
The current src/makefile
contains a set of recipes to allow for the compilation of objects at different levels of optimization (other than the general level specified by OFLAG
).
In these recipes the compiler will be invoked as:
$(FC) $(FREE) $(FFLAGS_x) $(OFLAG_x) $(INCS_x)
where x
stands for: 1, 2, 3, or IN.
FFLAGS_x
- Default:
FFLAGS_x=$(FFLAGS)
, for x=1, 2, 3, and IN.
OFLAG_x
- Default:
OFLAG_x=-Ox
(for x=1, 2, 3), andOFLAG_IN=-O2
INCS_x
- Default:
INCS_x=$(INCS)
, for x=1, 2, 3, and IN.
The objects to be compiled in accordance with these recipes have to be specified by means of the variables:
OBJECTS_O1
, OBJECTS_O2
, OBJECTS_O3
, OBJECTS_IN
Several objects are compiled at -O1
and -O2
by default. These lists of objects are specified in the path/to/vasp.X.X.X/src/.objects file through the variables:
SOURCE_O1
, SOURCE_O2
, SOURCE_IN
and reflect the special rules as they were present in most of the makefiles of the old build system.
To completely overrule a default setting (for instance for the -O1
special rules) you can use the following construct:
SOURCE_O1 = OBJECTS_O1= .. your list of objects ..