diff --git a/CMakeLists.txt b/CMakeLists.txt
index 000b25dde8..c6b7786366 100755
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -99,7 +99,6 @@ LIST(APPEND PROCESS_SRCS
structure_variables.f90
output.f90
init_module.f90
- main_module.f90
error_handling.f90
global_variables.f90
constraint_variables.f90
diff --git a/process/init.py b/process/init.py
index 53bc345a90..b67ff58ddf 100644
--- a/process/init.py
+++ b/process/init.py
@@ -1,7 +1,14 @@
+import datetime
+import getpass
+import socket
+import subprocess
+from pathlib import Path
from warnings import warn
+import process
import process.fortran as fortran
from process.exceptions import ProcessValidationError
+from process.utilities.f2py_string_patch import f2py_compatible_to_string
def init_process():
@@ -31,7 +38,162 @@ def init_process():
# Check input data for errors/ambiguities
check_process()
- fortran.main_module.run_summary()
+ run_summary()
+
+
+def get_git_summary() -> tuple[str, str]:
+ try:
+ directory = Path(process.__file__).parent
+
+ git_branch = (
+ subprocess.run(
+ "git rev-parse --abbrev-ref HEAD",
+ shell=True,
+ capture_output=True,
+ cwd=directory,
+ check=True,
+ )
+ .stdout.decode()
+ .strip()
+ )
+
+ git_tag = (
+ subprocess.run(
+ "git describe --tags",
+ shell=True,
+ capture_output=True,
+ cwd=directory,
+ check=True,
+ )
+ .stdout.decode()
+ .strip()
+ )
+
+ return git_branch, git_tag
+ except (subprocess.CalledProcessError, AttributeError):
+ return "", ""
+
+
+def run_summary():
+ """Write a summary of the PROCESS run to the output file and MFile"""
+ # Outfile and terminal #
+ for outfile in [fortran.constants.nout, fortran.constants.iotty]:
+ # PROCESS code header
+ fortran.process_output.oblnkl(outfile)
+ fortran.process_output.ostars(outfile, 110)
+ fortran.process_output.ocentr(outfile, "PROCESS", 110)
+ fortran.process_output.ocentr(outfile, "Power Reactor Optimisation Code", 110)
+ fortran.process_output.ostars(outfile, 110)
+ fortran.process_output.oblnkl(outfile)
+
+ # Run execution details
+ version = process.__version__
+ fortran.process_output.ocmmnt(outfile, f"Version : {version}")
+
+ git_branch, git_tag = get_git_summary()
+
+ fortran.process_output.ocmmnt(outfile, f"Git Tag : {git_tag}")
+ fortran.process_output.ocmmnt(outfile, f"Git Branch : {git_branch}")
+
+ date_string = datetime.datetime.now(datetime.timezone.utc).strftime(
+ "%d/%m/%Y %Z"
+ )
+ time_string = datetime.datetime.now(datetime.timezone.utc).strftime("%H:%M")
+
+ fortran.process_output.ocmmnt(outfile, f"Date : {date_string}")
+ fortran.process_output.ocmmnt(outfile, f"Time : {time_string}")
+
+ user = getpass.getuser()
+ machine = socket.gethostname()
+
+ fortran.process_output.ocmmnt(outfile, f"User : {user}")
+ fortran.process_output.ocmmnt(outfile, f"Computer : {machine}")
+ fortran.process_output.ocmmnt(outfile, f"Directory : {Path.cwd()}")
+
+ fileprefix = f2py_compatible_to_string(fortran.global_variables.fileprefix)
+ fortran.process_output.ocmmnt(
+ outfile,
+ f"Input : {fileprefix}",
+ )
+ runtitle = f2py_compatible_to_string(fortran.global_variables.runtitle)
+ fortran.process_output.ocmmnt(
+ outfile,
+ f"Run title : {runtitle}",
+ )
+
+ fortran.process_output.ocmmnt(
+ outfile,
+ f"Run type : Reactor concept design: {f2py_compatible_to_string(fortran.global_variables.icase)}, (c) UK Atomic Energy Authority",
+ )
+
+ fortran.process_output.oblnkl(outfile)
+ fortran.process_output.ostars(outfile, 110)
+ fortran.process_output.oblnkl(outfile)
+
+ fortran.process_output.ocmmnt(
+ outfile, f"Equality constraints : {fortran.numerics.neqns.item()}"
+ )
+ fortran.process_output.ocmmnt(
+ outfile, f"Inequality constraints : {fortran.numerics.nineqns.item()}"
+ )
+ fortran.process_output.ocmmnt(
+ outfile,
+ f"Total constraints : {fortran.numerics.nineqns.item() + fortran.numerics.neqns.item()}",
+ )
+ fortran.process_output.ocmmnt(
+ outfile, f"Iteration variables : {fortran.numerics.nvar.item()}"
+ )
+ fortran.process_output.ocmmnt(
+ outfile, f"Max iterations : {fortran.global_variables.maxcal.item()}"
+ )
+
+ if fortran.numerics.minmax > 0:
+ minmax_string = " -- minimise "
+ minmax_sign = "+"
+ else:
+ minmax_string = " -- maximise "
+ minmax_sign = "-"
+
+ fom_string = f2py_compatible_to_string(
+ fortran.numerics.lablmm[abs(fortran.numerics.minmax) - 1]
+ )
+ fortran.process_output.ocmmnt(
+ outfile,
+ f"Figure of merit : {minmax_sign}{abs(fortran.numerics.minmax)}{minmax_string}{fom_string}",
+ )
+ fortran.process_output.ocmmnt(
+ outfile,
+ f"Convergence parameter : {fortran.numerics.epsvmc}",
+ )
+
+ fortran.process_output.oblnkl(outfile)
+ fortran.process_output.ostars(outfile, 110)
+
+ # MFile #
+ mfile = fortran.constants.mfile
+
+ fortran.process_output.ovarst(mfile, "PROCESS version", "(procver)", f'"{version}"')
+ fortran.process_output.ovarst(mfile, "Date of run", "(date)", f'"{date_string}"')
+ fortran.process_output.ovarst(mfile, "Time of run", "(time)", f'"{time_string}"')
+ fortran.process_output.ovarst(mfile, "User", "(username)", f'"{user}"')
+ fortran.process_output.ovarst(
+ mfile, "PROCESS run title", "(runtitle)", f'"{runtitle}"'
+ )
+ fortran.process_output.ovarst(mfile, "PROCESS git tag", "(tagno)", f'"{git_tag}"')
+ fortran.process_output.ovarst(
+ mfile, "PROCESS git branch", "(branch_name)", f'"{git_branch}"'
+ )
+ fortran.process_output.ovarst(
+ mfile, "Input filename", "(fileprefix)", f'"{fileprefix}"'
+ )
+
+ fortran.process_output.ovarin(
+ mfile, "Optimisation switch", "(ioptimz)", fortran.numerics.ioptimz
+ )
+ if fortran.numerics.ioptimz == -2:
+ fortran.process_output.ovarin(
+ mfile, "Figure of merit switch", "(minmax)", fortran.numerics.minmax
+ )
def init_all_module_vars():
diff --git a/process/main.py b/process/main.py
index 5661643be2..eb2a3f5bbc 100644
--- a/process/main.py
+++ b/process/main.py
@@ -379,7 +379,6 @@ def run(self):
This is separate from init to allow model instances to be modified before a run.
"""
self.validate_user_model()
- self.run_tests()
self.call_solver()
self.run_scan(self.solver)
self.finish()
@@ -456,12 +455,6 @@ def initialise():
# [:n] as array always at max size: contains 0s
fortran.numerics.ixc[:n].sort()
- def run_tests(self):
- """Run tests if required to by input file."""
- # TODO This would do better in a separate input validation module.
- if fortran.global_variables.run_tests == 1:
- fortran.main_module.runtests()
-
def call_solver(self):
"""Call the equation solver (HYBRD)."""
# If no HYBRD (non-optimisation) runs are required, return
diff --git a/source/fortran/main_module.f90 b/source/fortran/main_module.f90
deleted file mode 100644
index 839f422c9d..0000000000
--- a/source/fortran/main_module.f90
+++ /dev/null
@@ -1,744 +0,0 @@
-#ifndef COMMSG
-#error COMMSG not defined!
-#endif
-
-#ifndef tagno
-#error tagno not defined!
-#endif
-
-#ifndef branch_name
-#error branch_name not defined!
-#endif
-
-#ifndef untracked
-#error untracked not defined!
-#endif
-
-module main_module
-
-#ifndef dp
- use, intrinsic :: iso_fortran_env, only: dp=>real64
-#endif
-
- implicit none
-
-contains
-
-! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-subroutine inform(progid)
-
- !! Routine to obtain information about the program being executed
- !! author: P J Knight, CCFE, Culham Science Centre
- !! progid(0:10) : output string array : Strings containing useful info
- !! This subroutine uses system calls to identify the user, date,
- !! machine etc. for the present run, and stores the information
- !! in a character string array.
- !! !
- ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
- use constants, only: nout
- implicit none
-
- ! Arguments
- character(len=110), dimension(0:10) :: progid
-
- ! Local variables
- character(len=10) :: progname
- character(len=98) :: executable
- character(len=*), parameter :: progver = & ! Beware: keep exactly same format...
- '3.1.0 Release Date :: 2024-03-21'
- character(len = 50) :: dt_time
- character(len=72), dimension(10) :: id
-
- ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
- ! Program name
- progname = 'PROCESS'
- call get_command_argument(0, executable)
- call get_DDMonYYTimeZone(dt_time)
- id(1) = trim(dt_time) ! values(3)//"/"// values(2)//"/"// values(1) ! 5 6 7!date
- call getlog(id(2)) ! Get user ID
- call hostnm(id(3)) ! Get host name
- call getcwd(id(4)) ! Get current working directory
-
- ! Annotate information and store in PROGID character array
- ! for use in other program units via the routine argument
-
- progid(1) = ' Program : ' // executable
- progid(2) = ' Version : ' // progver
- progid(3) = 'Date/time : ' // id(1)
- progid(4) = ' User : ' // id(2)
- progid(5) = ' Computer : ' // id(3)
- progid(6) = 'Directory : ' // id(4)
-
- ! Summarise most useful data, and store in progid(0)
- progid(0) = trim(progname) // ' ' // trim(progver(:7)) // &
- ' : Run on ' // trim(id(1)) // ' by ' // trim(id(3))
-
-end subroutine inform
-
-! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-subroutine run_summary
-
- !! Routine to print out a summary header
- !! author: P J Knight, CCFE, Culham Science Centre
- !! None
- !! This routine prints out a header summarising the program
- !! execution details, plus a list of the active iteration
- !! variables and constraint equations for the run.
- !! A User's Guide to the PROCESS Systems Code, P. J. Knight,
- !! AEA Fusion Report AEA FUS 251, 1993
- !
- ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
- use constants, only: nout, mfile, iotty, mfile
- use maths_library, only: integer2string, integer3string
- use global_variables, only: maxcal, fileprefix, icase, runtitle
- use numerics, only: nvar, neqns, ioptimz, nineqns, epsvmc, minmax, icc, &
- lablcc, lablmm
- use process_output, only: ocentr, oblnkl, ocmmnt, ostars, ovarst, ovarin
- use physics_variables, only: te
- implicit none
-
- ! Local variables
- integer, parameter :: width = 110
- integer :: lap, ii, outfile
- character(len = 110) :: progid(0:10)
- character(len = 9) :: vstring
- character(len = 8) :: date
- character(len = 10) :: time
- character(len = 12) :: dstring
- character(len = 7) :: tstring
- character(len = 10) :: ustring
- character(len = 100) :: rstring
- character(len = 60) :: fom_string
- character(len = 14) :: minmax_string
- character(len = 10) :: eps_string
- character :: minmax_sign
-
- ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
- ! Obtain execution details for this run
- call inform(progid)
-
- ! Print code banner + run details to screen and output file
- do lap = 1,2
- if (lap == 1) then
- outfile = iotty
- else
- outfile = nout
- end if
-
- ! PROCESS code header
- call oblnkl(outfile)
- call ostars(outfile, width)
- call ocentr(outfile,'PROCESS', width)
- call ocentr(outfile,'Power Reactor Optimisation Code', width)
- call ostars(outfile, width)
- call oblnkl(outfile)
-
- ! Run execution details
- call ocmmnt(outfile, progid(1)) ! program name
- call ocmmnt(outfile, progid(2)) ! version
- if (untracked > 0) then ! tag number
- call ocmmnt(outfile, ' Tag No. : '//tagno//' code contains untracked changes')
- else
- call ocmmnt(outfile, ' Tag No. : '//tagno)
- end if
- call ocmmnt(outfile, ' Branch : '//branch_name)
- call ocmmnt(outfile, ' Git log : '// &
- COMMSG) ! Last git com message
- call ocmmnt(outfile, progid(3)) ! date/time
- call ocmmnt(outfile, progid(4)) ! user
- call ocmmnt(outfile, progid(5)) ! computer
- call ocmmnt(outfile, progid(6)) ! directory
- if (trim(fileprefix) == "") then
- call ocmmnt(outfile, ' Input : IN.DAT') ! input file name
- else
- call ocmmnt(outfile, ' Input : '//trim(fileprefix)) ! input file name
- end if
- call ocmmnt(outfile, 'Run title : '//trim(runtitle)) ! run title
- call ocmmnt(outfile, ' Run type : Reactor concept design: '// trim(icase) // ', (c) CCFE')
-
- call oblnkl(outfile)
- call ostars(outfile, width)
- call oblnkl(outfile)
- call ocmmnt(outfile, ' Equality constraints : '//integer2string(neqns)) ! Number of equality constraints
- call ocmmnt(outfile, 'Inequality constraints : '//integer2string(nineqns)) ! Number of inequality constraints
- call ocmmnt(outfile, ' Total constraints : '//integer2string(neqns+nineqns)) ! Number of constraints
- call ocmmnt(outfile, ' Iteration variables : '//integer2string(nvar)) ! Number of iteration variables
- call ocmmnt(outfile, ' Max iterations : '//integer3string(maxcal)) ! Max number of iterations
-
- if (minmax > 0) then
- minmax_string = ' -- minimise '
- minmax_sign = "+"
- else
- minmax_string = ' -- maximise '
- minmax_sign = "-"
- end if
- fom_string = lablmm(abs(minmax))
- call ocmmnt(outfile, ' Figure of merit : '//minmax_sign//integer2string(abs(minmax))//minmax_string//fom_string) ! Figure of merit
-
- write(eps_string, '(ES8.2)') epsvmc
- call ocmmnt(outfile, ' Convergence parameter : '//eps_string) ! Convergence parameter
- call oblnkl(outfile)
- call ostars(outfile, width)
- end do
-
- call oblnkl(outfile)
- call ocmmnt(nout,'(Please include this header in any models, presentations and papers based on these results)')
- call oblnkl(nout)
- call ostars(nout, width)
- ! Issue #270
- call oblnkl(outfile)
- call ocmmnt(nout,'Quantities listed in standard row format are labelled as follows in columns 112-114:')
- call ocmmnt(nout,'ITV : Active iteration variable (in any output blocks)')
- call ocmmnt(nout,'OP : Calculated output quantity')
- call ocmmnt(nout,'Unlabelled quantities in standard row format are generally inputs')
- call ocmmnt(nout,'Note that calculated quantities may be trivially rescaled from inputs, or equal to bounds which are input.')
- ! MDK Note that the label must be exactly three characters or none - I don't know how to fix this.
-
- ! Beware of possible future changes to the progid(...) layouts
-
- ! Relies on an internal read statement
- vstring = progid(2)(13:21)
- call ovarst(mfile,'PROCESS version number','(procver)','"'//vstring//'"')
-
- call date_and_time(date=date, time=time)
-
- ! Date output in the form "DD/MM/YYYY" (including quotes)
- dstring = '"'//date(7:8)//'/'//date(5:6)//'/'//date(1:4)//'"'
- call ovarst(mfile,'Date of run','(date)',dstring)
-
- ! Time output in the form "hh:mm" (including quotes)
- tstring = '"'//time(1:2)//':'//time(3:4)//'"'
- call ovarst(mfile,'Time of run','(time)',tstring)
-
- ustring = '"'//trim(progid(4)(13:20))//'"'
- call ovarst(mfile,'User','(username)',ustring)
-
- rstring = '"'//runtitle//'"'
- call ovarst(mfile,'PROCESS run title','(runtitle)',rstring)
-
- rstring = '"'//tagno//'"'
- call ovarst(mfile,'PROCESS tag number','(tagno)',rstring)
-
- rstring = '"'//branch_name//'"'
- call ovarst(mfile,'PROCESS git branch name','(branch_name)',rstring)
-
- rstring = '"'//COMMSG//'"'
- call ovarst(mfile,'PROCESS last commit message','(commsg)',rstring)
-
- call ovarst(mfile,'Input filename','(fileprefix)','"'//trim(fileprefix//'"'))
-
- if (ioptimz == -2) then
- call ovarin(mfile,'Optimisation switch','(ioptimz)',ioptimz)
- call ovarin(mfile,'Figure of merit switch','(minmax)',minmax)
- end if
-
-#ifndef unit_test
-
- ! MDK Only print out the constraints here for HYBRD.
- ! For VMCON they are printed out later with residues.
- call oblnkl(nout)
- if (ioptimz == -1) then
- call ocmmnt(nout, 'The following constraint equations have been imposed,')
- call ocmmnt(nout, 'but limits will not be enforced by the code :')
- write(nout,30)
-30 format(t10,'icc',t25,'label')
- call oblnkl(nout)
- write(nout,40) (ii,icc(ii),lablcc(icc(ii)), ii=1,neqns+nineqns)
-40 format(t1,i3,t10,i3,t18,a33)
- end if
-
-#endif
-
-end subroutine run_summary
-
-! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-! Minpack Copyright Notice (1999) University of Chicago. All rights reserved
-
-! Redistribution and use in source and binary forms, with or
-! without modification, are permitted provided that the
-! following conditions are met:
-
-! 1. Redistributions of source code must retain the above
-! copyright notice, this list of conditions and the following
-! disclaimer.
-
-! 2. Redistributions in binary form must reproduce the above
-! copyright notice, this list of conditions and the following
-! disclaimer in the documentation and/or other materials
-! provided with the distribution.
-
-! 3. The end-user documentation included with the
-! redistribution, if any, must include the following
-! acknowledgment:
-
-! "This product includes software developed by the
-! University of Chicago, as Operator of Argonne National
-! Laboratory.
-
-! Alternately, this acknowledgment may appear in the software
-! itself, if and wherever such third-party acknowledgments
-! normally appear.
-
-! 4. WARRANTY DISCLAIMER. THE SOFTWARE IS SUPPLIED "AS IS"
-! WITHOUT WARRANTY OF ANY KIND. THE COPYRIGHT HOLDER, THE
-! UNITED STATES, THE UNITED STATES DEPARTMENT OF ENERGY, AND
-! THEIR EMPLOYEES: (1) DISCLAIM ANY WARRANTIES, EXPRESS OR
-! IMPLIED, INCLUDING BUT NOT LIMITED TO ANY IMPLIED WARRANTIES
-! OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, TITLE
-! OR NON-INFRINGEMENT, (2) DO NOT ASSUME ANY LEGAL LIABILITY
-! OR RESPONSIBILITY FOR THE ACCURACY, COMPLETENESS, OR
-! USEFULNESS OF THE SOFTWARE, (3) DO NOT REPRESENT THAT USE OF
-! THE SOFTWARE WOULD NOT INFRINGE PRIVATELY OWNED RIGHTS, (4)
-! DO NOT WARRANT THAT THE SOFTWARE WILL FUNCTION
-! UNINTERRUPTED, THAT IT IS ERROR-FREE OR THAT ANY ERRORS WILL
-! BE CORRECTED.
-
-! 5. LIMITATION OF LIABILITY. IN NO EVENT WILL THE COPYRIGHT
-! HOLDER, THE UNITED STATES, THE UNITED STATES DEPARTMENT OF
-! ENERGY, OR THEIR EMPLOYEES: BE LIABLE FOR ANY INDIRECT,
-! INCIDENTAL, CONSEQUENTIAL, SPECIAL OR PUNITIVE DAMAGES OF
-! ANY KIND OR NATURE, INCLUDING BUT NOT LIMITED TO LOSS OF
-! PROFITS OR LOSS OF DATA, FOR ANY REASON WHATSOEVER, WHETHER
-! SUCH LIABILITY IS ASSERTED ON THE BASIS OF CONTRACT, TORT
-! (INCLUDING NEGLIGENCE OR STRICT LIABILITY), OR OTHERWISE,
-! EVEN IF ANY OF SAID PARTIES HAS BEEN WARNED OF THE
-! POSSIBILITY OF SUCH LOSS OR DAMAGES.
-
-! eqslv() has been temporarily commented out. Please see the comment in
-! function_evaluator.fcnhyb() for an explanation.
-
-! subroutine eqslv(ifail)
-
-! !! Routine to call the non-optimising equation solver
-! !! author: P J Knight, CCFE, Culham Science Centre
-! !! ifail : output integer : error flag
-! !! This routine calls the non-optimising equation solver.
-! !! ! !
-! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-! use constants, only: nout, mfile, iotty
-! use constraints, only: constraint_eqns
-! use function_evaluator, only: fcnhyb
-! use error_handling, only: idiags, fdiags, errors_on, report_error
-! use numerics, only: ipeqns, epsfcn, factor, ftol, iptnt, ncalls, &
-! neqns, nfev1, nfev2, sqsumsq, xcm, rcm, xcs, resdl, scafc, ixc, lablxc, &
-! icc, lablcc, eqsolv
-! use process_output, only: ovarin, oblnkl, ocmmnt, oheadr, osubhd, &
-! ovarre, int_to_string3
-! use physics_variables, only: bt, aspect, rmajor, fusion_power, wallmw
-! use define_iteration_variables, only: loadxc
-! implicit none
-
-! ! Arguments
-! integer, intent(out) :: ifail
-
-! ! Local variables
-! integer :: inn,nprint,nx
-! real(dp) :: sumsq
-! ! real(dp), dimension(iptnt) :: wa
-! real(dp) :: wa(iptnt)
-! real(dp), dimension(ipeqns) :: con1, con2, err
-! character(len = 1), dimension(ipeqns) :: sym
-! character(len = 10), dimension(ipeqns) :: lab
-
-! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-! ncalls = 0
-! nfev1 = 0
-! nfev2 = 0
-! nprint = 0
-
-! ! Use HYBRD to find a starting point
-! call loadxc
-! call eqsolv(fcnhyb,neqns,xcm,rcm,ftol,epsfcn,factor,nprint,ifail, &
-! wa,iptnt,resdl,nfev1)
-
-! ! Turn on error reporting
-! errors_on = .true.
-
-! ! Print out information on solution
-! call oheadr(nout,'Numerics')
-! call ocmmnt(nout, &
-! 'PROCESS has performed a HYBRD (non-optimisation) run,')
-
-! if (ifail /= 1) then
-! call ocmmnt(nout,'but could NOT find a feasible set of parameters.')
-! call oblnkl(nout)
-! call ovarin(nout,'Number of iteration variables and constraints','(neqns)',neqns)
-! call ovarin(nout,'HYBRD error flag','(ifail)',ifail)
-
-! call oheadr(iotty,'PROCESS COULD NOT FIND A FEASIBLE SOLUTION')
-! call ovarin(iotty,'HYBRD error flag (ifail)','',ifail)
-! call oblnkl(iotty)
-
-! idiags(1) = ifail ; call report_error(131)
-
-! else
-! call ocmmnt(nout,'and found a feasible set of parameters.')
-! call oblnkl(nout)
-! call ovarin(nout,'HYBRD error flag','(ifail)',ifail)
-! call oblnkl(nout)
-! call oheadr(iotty,'PROCESS found a feasible solution')
-! end if
-
-! ! Sum the square of the residuals
-! sumsq = 0.0D0
-! do nx = 1,neqns
-! sumsq = sumsq + rcm(nx)**2
-! end do
-! sqsumsq = sqrt(sumsq)
-
-! call ovarre(nout,'Square root of the sum of squares of the constraint residuals','(sqsumsq)',sqsumsq, 'OP ')
-
-! ! If necessary, write out a relevant error message
-! if (ifail /= 1) then
-! call oblnkl(nout)
-! call herror(ifail)
-! call oblnkl(iotty)
-! else
-! ! Show a warning if the constraints appear high even if allegedly converged
-! if (sqsumsq >= 1.0D-2) then
-! call oblnkl(nout)
-! call ocmmnt(nout,'WARNING: Constraint residues are HIGH; consider re-running')
-! call ocmmnt(nout,' with lower values of FTOL to confirm convergence...')
-! call ocmmnt(nout,' (should be able to get down to about 1.0E-8 okay)')
-
-! call ocmmnt(iotty,'WARNING: Constraint residues are HIGH; consider re-running')
-! call ocmmnt(iotty,' with lower values of FTOL to confirm convergence...')
-! call ocmmnt(iotty,' (should be able to get down to about 1.0E-8 okay)')
-! call oblnkl(iotty)
-
-! fdiags(1) = sqsumsq ; call report_error(133)
-
-! end if
-! end if
-
-! call osubhd(nout,'The solution vector is comprised as follows :')
-
-! write(nout,10)
-! 10 format(t5,'i',t23,'final',t33,'fractional',t46,'residue')
-
-! write(nout,20)
-! 20 format(t23,'value',t35,'change')
-
-! call oblnkl(nout)
-
-! do inn = 1,neqns
-! xcs(inn) = xcm(inn)*scafc(inn)
-! write(nout,30) inn,lablxc(ixc(inn)),xcs(inn),xcm(inn),resdl(inn)
-! call ovarre(mfile,lablxc(ixc(inn)),'(itvar'//int_to_string3(inn)//')',xcs(inn))
-! end do
-! !30 format(t2,i4,t8,a9,t19,1pe12.4,1pe12.4,1pe12.4)
-! ! Make lablxc longer
-! 30 format(t2,i4,t8,a30,t39,1pe12.4,1pe12.4,1pe12.4)
-
-! call osubhd(nout, &
-! 'The following constraint residues should be close to zero :')
-
-! call constraint_eqns(neqns,con1,-1,con2,err,sym,lab)
-! write(nout,40)
-! 40 format(t48,'physical',t73,'constraint',t100,'normalised')
-! write(nout,50)
-! 50 format(t47,'constraint',t74,'residue',t101,'residue')
-! call oblnkl(nout)
-! do inn = 1,neqns
-! write(nout,60) inn,lablcc(icc(inn)),sym(inn),con2(inn), &
-! lab(inn),err(inn),lab(inn),con1(inn)
-! call ovarre(mfile,lablcc(icc(inn))//' normalised residue', &
-! '(normres'//int_to_string3(inn)//')',con1(inn))
-! end do
-! 60 format(t2,i4,t8,a33,t46,a1,t47,1pe12.4,t60,a10,t71,1pe12.4,t84,a10,t98,1pe12.4)
-
-! end subroutine eqslv
-
-! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-subroutine herror(ifail)
-
- !! Routine to print out relevant messages in the case of an
- !! unfeasible result from a HYBRD (non-optimisation) run
- !! author: P J Knight, CCFE, Culham Science Centre
- !! ifail : input integer : error flag
- !! This routine prints out relevant messages in the case of
- !! an unfeasible result from a HYBRD (non-optimisation) run.
- !! The messages are written to units NOUT and IOTTY, which are
- !! by default the output file and screen, respectively.
- !!
If IFAIL=1 then a feasible solution has been
- !! found and therefore no error message is required.
- !! !
- ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
- use constants, only: nout, iotty
- use process_output, only: oblnkl, ocmmnt
- implicit none
-
- ! Arguments
- integer, intent(in) :: ifail
-
- ! Local variables
-
- ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
- select case (ifail)
-
- case (:-1)
- call ocmmnt(nout, 'User-terminated execution of HYBRD.')
- call ocmmnt(iotty,'User-terminated execution of HYBRD.')
-
- case (0)
- call ocmmnt(nout, 'Improper input parameters to the HYBRD routine.')
- call ocmmnt(nout, 'PROCESS coding must be checked.')
-
- call ocmmnt(iotty,'Improper input parameters to the HYBRD routine.')
- call ocmmnt(iotty,'PROCESS coding must be checked.')
-
- case (1)
- continue
-
- case (2)
- call ocmmnt(nout,'The maximum number of calls has been reached without solution,')
- call ocmmnt(nout,'suggesting that the iteration is not making good progress.')
- call ocmmnt(nout,'Try changing the variables in IXC.')
-
- call ocmmnt(iotty,'The maximum number of calls has been reached without solution,')
- call ocmmnt(iotty,'suggesting that the iteration is not making good progress.')
- call ocmmnt(iotty,'Try changing the variables in IXC.')
-
- case (3)
- call ocmmnt(nout,'The tolerance is too small: No further improvement in the approximate solution is possible.')
- call ocmmnt(nout,'Try raising the value of FTOL.')
-
- call ocmmnt(iotty, 'The tolerance is too small: No further improvement in the approximate solution is possible.')
- call ocmmnt(iotty,'in the approximate solution is possible.')
- call ocmmnt(iotty,'Try raising the value of FTOL.')
-
- case (4)
- call ocmmnt(nout,'The iteration is not making good progress.')
- call ocmmnt(nout,'The code may be stuck in a minimum in the residual')
- call ocmmnt(nout,'space that is significantly above zero.')
- call oblnkl(nout)
- call ocmmnt(nout,'There is either no solution possible, or the code')
- call ocmmnt(nout,'is failing to escape from a deep local minimum.')
- call ocmmnt(nout,'Try changing the variables in IXC, or modify their initial values.')
-
- call ocmmnt(iotty,'The iteration is not making good progress.')
- call ocmmnt(iotty,'The code may be stuck in a minimum in the residual')
- call ocmmnt(iotty,'space that is significantly above zero.')
- call oblnkl(iotty)
- call ocmmnt(iotty,'There is either no solution possible, or the code')
- call ocmmnt(iotty,'is failing to escape from a deep local minimum.')
- call ocmmnt(iotty,'Try changing the variables in IXC, or modify their initial values.')
-
- case default
- call ocmmnt(nout,'This value of IFAIL should not be possible...')
- call ocmmnt(nout,'See source code for details.')
-
- call ocmmnt(iotty,'This value of IFAIL should not be possible...')
- call ocmmnt(iotty,'See source code for details.')
-
- end select
-
-end subroutine herror
-
-! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-subroutine verror(ifail)
-
- !! Routine to print out relevant messages in the case of an
- !! unfeasible result from a VMCON (optimisation) run
- !! author: P J Knight, CCFE, Culham Science Centre
- !! ifail : input integer : error flag
- !! This routine prints out relevant messages in the case of
- !! an unfeasible result from a VMCON (optimisation) run.
- !!
The messages are written to units NOUT and IOTTY, which are
- !! by default the output file and screen, respectively.
- !!
If IFAIL=1 then a feasible solution has been
- !! found and therefore no error message is required.
- !! !
- ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
- use constants, only: nout, iotty
- use process_output, only: ocmmnt, oblnkl
- implicit none
-
- ! Arguments
- integer, intent(in) :: ifail
-
- ! Local variables
-
- ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
- select case (ifail)
-
- case (:-1)
- call ocmmnt(nout, 'User-terminated execution of VMCON.')
- call ocmmnt(iotty,'User-terminated execution of VMCON.')
-
- case (0)
- call ocmmnt(nout, 'Improper input parameters to the VMCON routine.')
- call ocmmnt(nout, 'PROCESS coding must be checked.')
-
- call ocmmnt(iotty,'Improper input parameters to the VMCON routine.')
- call ocmmnt(iotty,'PROCESS coding must be checked.')
-
- case (1)
- continue
-
- case (2)
- call ocmmnt(nout,'The maximum number of calls has been reached without solution.')
- call ocmmnt(nout,'The code may be stuck in a minimum in the residual space that is significantly above zero.')
- call oblnkl(nout)
- call ocmmnt(nout,'There is either no solution possible, or the code')
- call ocmmnt(nout,'is failing to escape from a deep local minimum.')
- call ocmmnt(nout,'Try changing the variables in IXC, or modify their initial values.')
-
- call ocmmnt(iotty,'The maximum number of calls has been reached without solution.')
- call ocmmnt(iotty,'The code may be stuck in a minimum in the residual space that is significantly above zero.')
- call oblnkl(nout)
- call oblnkl(iotty)
- call ocmmnt(iotty,'There is either no solution possible, or the code')
- call ocmmnt(iotty,'is failing to escape from a deep local minimum.')
- call ocmmnt(iotty,'Try changing the variables in IXC, or modify their initial values.')
-
- case (3)
- call ocmmnt(nout,'The line search required the maximum of 10 calls.')
- call ocmmnt(nout,'A feasible solution may be difficult to achieve.')
- call ocmmnt(nout,'Try changing or adding variables to IXC.')
-
- call ocmmnt(iotty,'The line search required the maximum of 10 calls.')
- call ocmmnt(iotty,'A feasible solution may be difficult to achieve.')
- call ocmmnt(iotty,'Try changing or adding variables to IXC.')
-
- case (4)
- call ocmmnt(nout,'An uphill search direction was found.')
- call ocmmnt(nout,'Try changing the equations in ICC, or')
- call ocmmnt(nout,'adding new variables to IXC.')
-
- call ocmmnt(iotty,'An uphill search direction was found.')
- call ocmmnt(iotty,'Try changing the equations in ICC, or')
- call ocmmnt(iotty,'adding new variables to IXC.')
-
- case (5)
- call ocmmnt(nout, &
- 'The quadratic programming technique was unable to')
- call ocmmnt(nout,'find a feasible point.')
- call oblnkl(nout)
- call ocmmnt(nout,'Try changing or adding variables to IXC, or modify')
- call ocmmnt(nout,'their initial values (especially if only 1 optimisation')
- call ocmmnt(nout,'iteration was performed).')
-
- call ocmmnt(iotty, &
- 'The quadratic programming technique was unable to')
- call ocmmnt(iotty,'find a feasible point.')
- call oblnkl(iotty)
- call ocmmnt(iotty,'Try changing or adding variables to IXC, or modify')
- call ocmmnt(iotty,'their initial values (especially if only 1 optimisation')
- call ocmmnt(iotty,'iteration was performed).')
-
- case (6)
- call ocmmnt(nout, &
- 'The quadratic programming technique was restricted')
- call ocmmnt(nout, &
- 'by an artificial bound, or failed due to a singular')
- call ocmmnt(nout,'matrix.')
- call ocmmnt(nout,'Try changing the equations in ICC, or')
- call ocmmnt(nout,'adding new variables to IXC.')
-
- call ocmmnt(iotty, &
- 'The quadratic programming technique was restricted')
- call ocmmnt(iotty, &
- 'by an artificial bound, or failed due to a singular')
- call ocmmnt(iotty,'matrix.')
- call ocmmnt(iotty,'Try changing the equations in ICC, or')
- call ocmmnt(iotty,'adding new variables to IXC.')
-
- case default
- call ocmmnt(nout,'This value of IFAIL should not be possible...')
- call ocmmnt(nout,'See source code for details.')
-
- call ocmmnt(iotty,'This value of IFAIL should not be possible...')
- call ocmmnt(iotty,'See source code for details.')
-
- end select
-
-end subroutine verror
-
-! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-
-
-
-
-subroutine runtests
- ! These tests should gradually be moved to pytest
- use constants, only: nout
- use maths_library, only: binomial
- use process_output, only: ocmmnt, ovarre
-! use pfcoil_module, only: brookscoil
-! use reinke_module, only: test_reinke
- implicit none
- real(dp) :: fshift, xf, enpa,ftherm,fpp,cdeff, ampperwatt
- logical :: Temperature_capped
- call ovarre(nout,'Binomial coefficients C(5,0): 1', '(binomial(5,0))', binomial(5,0))
- call ovarre(nout,'Binomial coefficients C(5,1): 5', '(binomial(5,1))', binomial(5,1))
- call ovarre(nout,'Binomial coefficients C(5,2): 10', '(binomial(5,2))', binomial(5,2))
- call ovarre(nout,'Binomial coefficients C(5,3): 10', '(binomial(5,3))', binomial(5,3))
- call ovarre(nout,'Binomial coefficients C(5,4): 5', '(binomial(5,4))', binomial(5,4))
- call ovarre(nout,'Binomial coefficients C(5,5): 1', '(binomial(5,5))', binomial(5,5))
-
- ! call brookscoil(nout) Moved to pytest
- ! Disabled for ease of #1542 - Tim
-! call test_reinke()
-end subroutine runtests
-
-
-subroutine get_DDMonYYTimeZone(dt_time)
- !! Routine to get date, time and timezone
- !! author: M Kumar, CCFE, Culham Science Centre
- !! dt_time : output string : String containing formatted time and date
- !! This routine calls the intrinsic DATE_AND_TIME subroutine
- !! and format the output in
- !! DD Mon YYYY hr:minute:second time difference from UTC.
-
-! Arguments
- CHARACTER(len = *), INTENT(OUT) :: dt_time
-! Local variables
- INTEGER :: values(8)
- CHARACTER(len = 1), parameter :: tspt = ":"
- CHARACTER(len = 1), parameter :: spspt = " "
-
- CHARACTER(len = 2) :: dd
- CHARACTER(len = 5) :: mons(12)
- CHARACTER(len = 4) :: yyyy
- CHARACTER(len = 2) :: hr ! Hour of the day
- CHARACTER(len = 2) :: mnt ! Minute of the hour
- CHARACTER(len = 2) :: scnd ! The seconds of the minute
- CHARACTER(len = 5) :: zn ! In form (+-)hhmm, representing the difference with respect to Coordinated Universal Time (UTC).
- CHARACTER(len = 20) :: znfrmt
-
- mons = [' Jan ',' Feb ',' Mar ',' Apr ',' May ',' Jun ',&
- ' Jul ',' Aug ',' Sep ',' Oct ',' Nov ',' Dec ']
-
- CALL DATE_AND_TIME(ZONE = zn, VALUES = values)
- znfrmt = zn(1:3)//":"//zn(4:5)//"(hh:mm) UTC"
- znfrmt = trim(znfrmt)
- WRITE( dd,'(i2)') values(3)
- WRITE(yyyy,'(i4)') values(1)
- write(hr, '(i2)') values(5)
- write(mnt, '(i2)') values(6)
- write(scnd, '(i2)') values(7)
- if(mnt(1:1) == " ") mnt(1:1) = "0"
- if(scnd(1:1) == " ") scnd(1:1) = "0"
-
- dt_time = dd//mons(values(2))//yyyy//spspt// &
- hr//tspt//mnt//tspt//scnd//spspt//znfrmt
- dt_time = trim(dt_time)
-
- END subroutine get_DDMonYYTimeZone
-
-end module main_module
diff --git a/source/fortran/scan.f90 b/source/fortran/scan.f90
index 161c59a102..3aa7fcf6b1 100644
--- a/source/fortran/scan.f90
+++ b/source/fortran/scan.f90
@@ -872,7 +872,6 @@ subroutine post_optimise(ifail)
use numerics
use process_output
use utilities, only:upper_case
- use main_module, only:verror
! for ipedestal = 2 option
use global_variables, only: convergence_parameter
use constants, only: iotty, nout, mfile
@@ -1112,4 +1111,126 @@ end subroutine post_optimise
! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+
+subroutine verror(ifail)
+
+ !! Routine to print out relevant messages in the case of an
+ !! unfeasible result from a VMCON (optimisation) run
+ !! author: P J Knight, CCFE, Culham Science Centre
+ !! ifail : input integer : error flag
+ !! This routine prints out relevant messages in the case of
+ !! an unfeasible result from a VMCON (optimisation) run.
+ !!
The messages are written to units NOUT and IOTTY, which are
+ !! by default the output file and screen, respectively.
+ !!
If IFAIL=1 then a feasible solution has been
+ !! found and therefore no error message is required.
+ !! !
+ ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+
+ use constants, only: nout, iotty
+ use process_output, only: ocmmnt, oblnkl
+ implicit none
+
+ ! Arguments
+ integer, intent(in) :: ifail
+
+ ! Local variables
+
+ ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+
+ select case (ifail)
+
+ case (:-1)
+ call ocmmnt(nout, 'User-terminated execution of VMCON.')
+ call ocmmnt(iotty,'User-terminated execution of VMCON.')
+
+ case (0)
+ call ocmmnt(nout, 'Improper input parameters to the VMCON routine.')
+ call ocmmnt(nout, 'PROCESS coding must be checked.')
+
+ call ocmmnt(iotty,'Improper input parameters to the VMCON routine.')
+ call ocmmnt(iotty,'PROCESS coding must be checked.')
+
+ case (1)
+ continue
+
+ case (2)
+ call ocmmnt(nout,'The maximum number of calls has been reached without solution.')
+ call ocmmnt(nout,'The code may be stuck in a minimum in the residual space that is significantly above zero.')
+ call oblnkl(nout)
+ call ocmmnt(nout,'There is either no solution possible, or the code')
+ call ocmmnt(nout,'is failing to escape from a deep local minimum.')
+ call ocmmnt(nout,'Try changing the variables in IXC, or modify their initial values.')
+
+ call ocmmnt(iotty,'The maximum number of calls has been reached without solution.')
+ call ocmmnt(iotty,'The code may be stuck in a minimum in the residual space that is significantly above zero.')
+ call oblnkl(nout)
+ call oblnkl(iotty)
+ call ocmmnt(iotty,'There is either no solution possible, or the code')
+ call ocmmnt(iotty,'is failing to escape from a deep local minimum.')
+ call ocmmnt(iotty,'Try changing the variables in IXC, or modify their initial values.')
+
+ case (3)
+ call ocmmnt(nout,'The line search required the maximum of 10 calls.')
+ call ocmmnt(nout,'A feasible solution may be difficult to achieve.')
+ call ocmmnt(nout,'Try changing or adding variables to IXC.')
+
+ call ocmmnt(iotty,'The line search required the maximum of 10 calls.')
+ call ocmmnt(iotty,'A feasible solution may be difficult to achieve.')
+ call ocmmnt(iotty,'Try changing or adding variables to IXC.')
+
+ case (4)
+ call ocmmnt(nout,'An uphill search direction was found.')
+ call ocmmnt(nout,'Try changing the equations in ICC, or')
+ call ocmmnt(nout,'adding new variables to IXC.')
+
+ call ocmmnt(iotty,'An uphill search direction was found.')
+ call ocmmnt(iotty,'Try changing the equations in ICC, or')
+ call ocmmnt(iotty,'adding new variables to IXC.')
+
+ case (5)
+ call ocmmnt(nout, &
+ 'The quadratic programming technique was unable to')
+ call ocmmnt(nout,'find a feasible point.')
+ call oblnkl(nout)
+ call ocmmnt(nout,'Try changing or adding variables to IXC, or modify')
+ call ocmmnt(nout,'their initial values (especially if only 1 optimisation')
+ call ocmmnt(nout,'iteration was performed).')
+
+ call ocmmnt(iotty, &
+ 'The quadratic programming technique was unable to')
+ call ocmmnt(iotty,'find a feasible point.')
+ call oblnkl(iotty)
+ call ocmmnt(iotty,'Try changing or adding variables to IXC, or modify')
+ call ocmmnt(iotty,'their initial values (especially if only 1 optimisation')
+ call ocmmnt(iotty,'iteration was performed).')
+
+ case (6)
+ call ocmmnt(nout, &
+ 'The quadratic programming technique was restricted')
+ call ocmmnt(nout, &
+ 'by an artificial bound, or failed due to a singular')
+ call ocmmnt(nout,'matrix.')
+ call ocmmnt(nout,'Try changing the equations in ICC, or')
+ call ocmmnt(nout,'adding new variables to IXC.')
+
+ call ocmmnt(iotty, &
+ 'The quadratic programming technique was restricted')
+ call ocmmnt(iotty, &
+ 'by an artificial bound, or failed due to a singular')
+ call ocmmnt(iotty,'matrix.')
+ call ocmmnt(iotty,'Try changing the equations in ICC, or')
+ call ocmmnt(iotty,'adding new variables to IXC.')
+
+ case default
+ call ocmmnt(nout,'This value of IFAIL should not be possible...')
+ call ocmmnt(nout,'See source code for details.')
+
+ call ocmmnt(iotty,'This value of IFAIL should not be possible...')
+ call ocmmnt(iotty,'See source code for details.')
+
+ end select
+
+end subroutine verror
+
end module scan_module
diff --git a/tests/unit/test_main.py b/tests/unit/test_main.py
index 61dab2064d..d618750bd1 100644
--- a/tests/unit/test_main.py
+++ b/tests/unit/test_main.py
@@ -215,23 +215,6 @@ def test_initialise(single_run, monkeypatch):
single_run.initialise()
-def test_run_tests(single_run, monkeypatch):
- """Check main_module.runtests() is run if run_tests == 1.
-
- :param single_run: single_run fixture
- :type single_run: SingleRun
- :param monkeypatch: monkeypatch fixture
- :type monkeypatch: object
- """
- # TODO Can't actually check that this is being run yet; need a result that
- # can be checked in the Python (isolated fixtures), to avoid side-effects
- # persisting in the Fortran
- # For now, just check that no exceptions are thrown before calling into
- # the Fortran
- monkeypatch.setattr(fortran.global_variables, "run_tests", 1)
- single_run.run_tests()
-
-
def test_call_solver(single_run, monkeypatch):
"""Attempt to call the hybrd() non-optimising solver.