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@ -8,7 +8,8 @@ canonifyurls = true
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DefaultContentLanguage = "en"
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theme = "beautifulhugo"
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metaDataFormat = "yaml"
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pygmentsUseClassic=true
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#pygmentsuseclasses = true
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PygmentsCodeFences = true
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[Params]
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@ -19,7 +20,7 @@ pygmentsUseClassic=true
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commit = false
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rss = true
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comments = true
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# gcse = "012345678901234567890:abcdefghijk" # Get your code from google.com/cse. Make sure to go to "Look and Feel" and change Layout to "Full Width" and Theme to "Classic"
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useHLJS = true
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[[Params.bigimg]]
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src = "img/triangle.jpg"
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@ -49,26 +49,26 @@ The production tree of *E* is represented as:
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The calculation of *E* could be done in Fortran using subroutine
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calls to imperatively ask the program to realize the needed calculations, such as
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```bash
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program compute_Energy
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double precision :: E_nucl, E_pot, E_kin, E_elec, E
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```fortran
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program compute_Energy
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double precision :: E_nucl, E_pot, E_kin, E_elec, E
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call compute_E_nucl(E_nucl)
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call compute_E_pot(E_pot)
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call compute_E_kin(E_kin)
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call compute_E_elec(E_elec,E_pot,E_kin)
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call compute_E(E,E_nucl,E_elec)
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call compute_E_nucl(E_nucl)
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call compute_E_pot(E_pot)
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call compute_E_kin(E_kin)
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call compute_E_elec(E_elec,E_pot,E_kin)
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call compute_E(E,E_nucl,E_elec)
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print *, 'Energy = ', E
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print *, 'Energy = ', E
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end
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end
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```
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In this example, it is not clear which are input and output
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arguments in the subroutine calls. A clearer way to express the same code
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would be using functions:
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```bash
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```fortran
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program compute_Energy
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double precision :: E_nucl, E_pot, E_kin, E_elec, E
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double precision :: compute_E_nucl, compute_E_pot, compute_E_kin, &
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@ -89,13 +89,13 @@ In both example, the programmer needs to know the production tree of *E*,
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in order to be position the statements in the correct order.
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For instance, the line
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```bash
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```fortran
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E_nucl = compute_E_nucl()
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```
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has to be positioned before
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```bash
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```fortran
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E = compute_E(E_nucl,E_elec)
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```
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@ -103,7 +103,7 @@ otherwise the program is wrong.
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If the code is written in this way:
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```bash
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```fortran
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program compute_Energy
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double precision :: compute_E_nucl, compute_E_pot, compute_E_kin, &
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compute_E_elec, compute_E
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@ -126,7 +126,7 @@ the code would be unreadable by a programmer.
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If the parameters of function calls could be automatically inserted by a tool,
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the program would be as simple as
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```bash
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```fortran
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program compute_E
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print *, 'Energy = ', E
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end
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@ -140,7 +140,7 @@ production tree. It is defined by a provider function, whose role is to build
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the value of the entity. In this example, the provider function of *E*
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would be
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```bash
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```irpf90
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BEGIN_PROVIDER [ double precision, E ]
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E = E_nucl + E_elec
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END_PROVIDER
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@ -181,8 +181,7 @@ IRPF90_man IRPF90_temp Makefile
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and a standard `Makefile` is build, using the gfortran compiler:
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```bash
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$ cat Makefile
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```make
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IRPF90 = irpf90 #-a -d
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FC = gfortran
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FCFLAGS= -ffree-line-length-none -O2
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@ -204,7 +203,7 @@ We can now start to write the code.
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First, we write a very simple program which prints the surface and the
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volume of a cube. In a file named ``cube_example.irp.f``, write:
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```bash
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```irpf90
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program cube_example
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implicit none
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@ -230,7 +229,7 @@ We can now write in the file named `properties.irp.f` how the properties are
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computed. The calculation of a property appears in the *provider function*
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of the property.
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, surface ]
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BEGIN_DOC
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@ -241,7 +240,7 @@ BEGIN_PROVIDER [ real, surface ]
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END_PROVIDER
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```
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, volume ]
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BEGIN_DOC
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@ -256,7 +255,7 @@ These two properties depend on the value of the ``edge`` variable which can be
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given in the standard input. The edge is the way we define a cube, so we
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write in a file named ``cube.irp.f``:
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, edge ]
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BEGIN_DOC
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! Value of the edge of the cube
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@ -272,7 +271,7 @@ Here the ``ASSERT`` keyword guarantees that when ``edge`` is provided, its value
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is positive. Otherwise, if the `-a` option of the ``irpf90`` command is used,
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the program will fail will an error message:
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```bash
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```
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Stack trace: 0
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-------------------------
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cube_example
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@ -301,7 +300,7 @@ using the irpman tool (shown in next section).
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To understand what happens at the execution, turn on the `-a` and `-d` options
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of `irpf90` in the `Makefile` by removing the `#` in the first line. Then, run `make`.
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```bash
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```
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$ make
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Makefile:9: irpf90.make: No such file or directory
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irpf90 -a -d
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@ -330,7 +329,7 @@ file ``irpf90.make`` was generated, and contains the dependencies between the ``
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files. The file ``irpf90_entities`` contains the list of the IRP entities,
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their type and the file in which they are defined:
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```bash
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```
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$ cat irpf90_entities
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cube.irp.f : real :: edge
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properties.irp.f : real :: surface
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@ -345,7 +344,7 @@ $ irpman surface
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you obtain a man page describing the entity surface and its dependencies:
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```text
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```
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IRPF90 entities(l) surface IRPF90 entities(l)
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Declaration
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@ -369,7 +368,7 @@ IRPF90 entities surface IRPF90 entities(l)
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Recall that the `-d` and `-a` options were activated in the `Makefile`.
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Run the program, and choose 2 for the value of the edge of the cube:
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```bash
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```
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$ ./cube_example
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0 : -> provide_volume
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0 : -> provide_edge
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@ -404,7 +403,7 @@ wrote.
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We first need to provide ``surface``
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```bash
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```
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-> provide_surface
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```
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@ -412,33 +411,33 @@ As ``surface`` is not valid, we have to build it, but as ``surface`` needs
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``edge``, we first need to provide ``edge`` before computing the value of
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``surface``.
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```bash
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```
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-> provide_edge
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```
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As ``edge`` is not valid, it has to be built.
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```bash
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```
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-> bld_edge
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```
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Building ``edge`` asks the user to enter the value with the standard
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input.
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```bash
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```
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Value of the edge of the cube
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```
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Now ``edge`` is valid
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```bash
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```
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<- bld_edge 0.00000000000000
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<- provide_edge 0.00000000000000
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```
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and we can build the value of ``surface``:
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```bash
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```
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-> bld_surface
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<- bld_surface 0.00000000000000
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```
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@ -447,14 +446,14 @@ We are now back into the main program with a valid value for the surface.
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The value of ``volume`` is also requested in the main program, so the
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exploration of the production tree of ``volume`` starts:
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```bash
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```
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-> provide_volume
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```
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``volume`` needs ``edge``. As ``edge`` is valid, it is not re-built at its
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value is used to calculate ``volume``
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```bash
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```
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-> bld_volume
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<- bld_volume 0.00000000000000
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<- provide_volume 0.00000000000000
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@ -463,20 +462,20 @@ value is used to calculate ``volume``
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We can now execute the main program with valid values of ``surface`` and
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``volume``.
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```bash
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```
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-> cube_example
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```
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These values can now be used to be printed:
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```bash
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```
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Surface Area : 24.00000
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Volume : 8.000000
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```
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The last line tells us we leave the program
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```bash
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```
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<- cube_example 0.00000000000000
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```
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@ -512,7 +511,7 @@ which constitute the faces, and calculate the centers.
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In the main code, just add the information that you want to print the
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coordinates of the centers of the faces of the cube:
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```bash
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```irpf90
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program cube_example
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implicit none
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@ -539,7 +538,7 @@ anywhere.
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Now, we introduce the ''center'' entity, which contains the values of the
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centers of the faces of the cube, in the `properties.irp.f` file:
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, center, (3,face_num) ]
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implicit none
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@ -576,7 +575,7 @@ in the array ``vertex``. The array ``face`` contains, for each face, the
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indices of the array ``vertex`` corresponding to the vertices of the face:
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these last arrays are defined in the ``cube.irp.f``:
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```bash
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```irpf90
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BEGIN_PROVIDER [ integer, vertex_num ]
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implicit none
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BEGIN_DOC
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@ -626,7 +625,7 @@ For simplicity, the cube is chosen to have one point at the origin, and faces
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in the *xy*, *yz* and *xz* planes. The faces are computed using the squared
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distance matrix of the vertices:
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```bash
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```irpf90
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BEGIN_PROVIDER [ integer, face_num ]
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implicit none
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@ -697,7 +696,7 @@ END_PROVIDER
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where the squared distance matrix is defined with:
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, distance2, (vertex_num,vertex_num) ]
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implicit none
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@ -720,7 +719,7 @@ END_PROVIDER
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and the squared value of the edge is computed only once using:
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, edge2 ]
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BEGIN_DOC
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! edge2 : Square of the value of the edge
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@ -750,7 +749,7 @@ IRPF90_temp/properties.irp.o IRPF90_temp/irp_touches.irp.o
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and run it:
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```bash
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```
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$ ./cube_example
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0 : -> provide_volume
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0 : -> provide_edge
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@ -822,7 +821,7 @@ In the ``cube.irp.f`` file, we first modify the provider of the ``edge`` entity.
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Considering that the vertices constitute a cube, the edge is the minimum value
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of the distance matrix
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, edge ]
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BEGIN_DOC
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! Value of the edge of the cube
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@ -850,7 +849,7 @@ END_PROVIDER
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Then, we modify the provider of the ``vertex`` entity to read 8 points from
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the input file.
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, vertex, (3,vertex_num) ]
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implicit none
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@ -876,7 +875,7 @@ To be sure that the data read by the code is valid, we write the function
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``is_a_cube`` which returns `.True.` when the points given are vertices of a
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cube. This function is a standard Fortran function:
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```bash
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```irpf90
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logical function is_a_cube(v)
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implicit none
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@ -962,7 +961,7 @@ gfortran -o cube_example IRPF90_temp/cube_example.irp.o IRPF90_temp/irp_stack.i
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```
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```bash
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```
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$ ./cube_example
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0 : -> provide_volume
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0 : -> provide_edge
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@ -1045,7 +1044,7 @@ long as the value of the surface is below a threshold. At the end of one
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iteration, the length of the edge is incremented by the value ``increment``.
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In file ``iterative_test.irp.f``, write:
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```bash
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```irpf90
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program iterative_test
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implicit none
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@ -1065,7 +1064,7 @@ have to be provided again.
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The ``threshold`` and ``increment`` values are given in input, in file
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``control.irp.f``:
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```bash
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```irpf90
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BEGIN_PROVIDER [ real, threshold ]
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BEGIN_DOC
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@ -1108,7 +1107,7 @@ you can remark that the executable ``cube_example`` of the previous section is s
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Running the program gives:
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```bash
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```
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$ ./iterative_test
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0 : -> provide_threshold
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0 : -> threshold
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@ -1194,14 +1193,14 @@ code. Let us write a simple header for the code, which returns the name of the
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user who compiled the code, and the date of compilation. We now remove the
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`-d` option of ``irpf90`` for shorter outputs.
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```bash
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```irpf90
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program iterative_test
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implicit none
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print *, 'Program ', irp_here
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BEGIN_SHELL [ /bin/sh ]
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echo print *, \'Compiled by : $USER\'
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echo print *, \'Compilation date: `date`\'
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echo "print *, \'Compiled by : $USER \'"
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echo "print *, \'Compilation date: `date`\'"
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END_SHELL
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do while (surface < threshold)
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@ -1215,7 +1214,7 @@ end program
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Running this program returns the following output:
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```bash
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```
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Threshold for the surface:
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100
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Vertices of the cube:
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@ -1244,14 +1243,14 @@ gathering information from the input. This is due to the fact that in IRPF90,
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the entities are provided as soon as possible. If you really want to print the
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header at the beginning of the program, you can use the following trick:
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```bash
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```irpf90
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program iterative_test
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implicit none
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print *, 'Program ', irp_here
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BEGIN_SHELL [ /bin/sh ]
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echo print *, \'Compiled by : $USER\'
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echo print *, \'Compilation date: `date`\'
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echo "print *, \'Compiled by : $USER \'"
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echo "print *, \'Compilation date: `date`\'"
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END_SHELL
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call run_iterative_process
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@ -1270,7 +1269,7 @@ end program
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which gives the output:
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```bash
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```
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Program iterative_test
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Compiled by : scemama
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Compilation date: Fri Sep 25 16:03:58 CEST 2009
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@ -1387,7 +1386,7 @@ END_SHELL
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and a new main program is created (``get_doc.irp.f``) to print the documentation of
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a variable if it is present in the command line:
|
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|
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```bash
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```irpf90
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program get_doc
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integer :: iargc
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|
@ -1448,7 +1447,7 @@ $ ./get_doc
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```
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|
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```bash
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```
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$ ./get_doc volume
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Volume of the cube
|
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```
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|
|
@ -1460,7 +1459,7 @@ $ ./get_doc volume
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|||
|
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Memory of an IRP entity can be freed using the ``FREE`` keyword
|
||||
|
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```bash
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```irpf90
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FREE x
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```
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|
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@ -1474,7 +1473,7 @@ If it is not an array, the ``FREE`` keyword will only mark it as invalid.
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|
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Conditional compilation is possible using the ``IRP_IF ... IRP_ELSE .. IRP_ENDIF`` directives.
|
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|
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```bash
|
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```irpf90
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IRP_IF MPI
|
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include 'mpif.h'
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print *, 'Multiprocessor code'
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|
|
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|
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@ -1,4 +1,15 @@
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<!--
|
||||
If you want to include any custom html just before </body>, put it in /layouts/footer_custom.html
|
||||
Do not put anything in this file - it's only here so that hugo won't throw an error if /layouts/footer_custom.html doesn't exist.
|
||||
-->
|
||||
-->
|
||||
<script src="//cdnjs.cloudflare.com/ajax/libs/highlight.js/9.13.1/highlight.pack.js"></script>
|
||||
<!--
|
||||
<script src="//cdnjs.cloudflare.com/ajax/libs/highlight.js/9.13.1/highlight.min.js"></script>
|
||||
-->
|
||||
<script src="//cdnjs.cloudflare.com/ajax/libs/highlight.js/9.13.1/languages/fortran.min.js"></script>
|
||||
<script src="//cdnjs.cloudflare.com/ajax/libs/highlight.js/9.13.1/languages/irpf90.min.js"></script>
|
||||
|
||||
<script>
|
||||
hljs.configure({languages: []});
|
||||
hljs.initHighlightingOnLoad();
|
||||
</script>
|
||||
|
|
|
|||
|
|
@ -1,4 +1,7 @@
|
|||
<!--
|
||||
If you want to include any custom html just before </head>, put it in /layouts/head_custom.html
|
||||
Do not put anything in this file - it's only here so that hugo won't throw an error if /layouts/head_custom.html doesn't exist.
|
||||
-->
|
||||
-->
|
||||
<link href="//cdnjs.cloudflare.com/ajax/libs/highlight.js/9.13.1/styles/github.min.css" rel="stylesheet">
|
||||
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue