perf(GwfModule): improvements to ptc (#53)

Small improvements to ptc to reduce the ptcdel value loaded on the
diagonal.

CONTRIBUTING.md

@@ -131,7 +131,7 @@ from the main (upstream) repository:
 ## <a name="rules"></a> Coding Rules
 To ensure consistency throughout the source code, keep these rules in mind as you are working:
 
-* All features or bug fixes **must be tested** by one or more specs (unit-tests).
+* All features or bug fixes **must be tested** by one or more specs (unit-tests and/or integration/regression-tests).
 
 ## <a name="commit"></a> Commit Message Guidelines
 
@@ -175,7 +175,7 @@ If the commit reverts a previous commit, it should begin with `revert: `, follow
 ### Type
 Must be one of the following:
 
-* **ci**: Changes to our CI configuration files and scripts (example scopes: Travis, Circle, BrowserStack, SauceLabs)
+* **ci**: Changes to our CI configuration files and scripts (example scopes: Travis)
 * **docs**: Documentation only changes
 * **feat**: A new feature
 * **fix**: A bug fix
@@ -185,13 +185,10 @@ Must be one of the following:
 * **test**: Adding missing tests or correcting existing tests
 
 ### Scope
-The scope should be the name of the MODFLOW 6 module/class affected (as perceived by the person reading the changelog generated from commit messages.
+The scope should be the name of the MODFLOW 6 module/class affected (as perceived by the person reading the changelog generated from commit messages).
 
 There are currently a few exceptions to the "use module/class name" rule:
 
-* **packaging**: used for changes that change the npm package layout in all of our packages, e.g.
-  public path changes, package.json changes done to all packages, d.ts file/format changes, changes
-  to bundles, etc.
 * **releasenotes**: used for updating the release notes
 * **readme**: used for updating the release notes in README.md
 * **changelog**: used for updating the release notes in CHANGELOG.md

README.md

@@ -7,8 +7,8 @@
 
 ## Automated Testing Status on Travis-CI
 
-### Version 6.0.3 develop — build 25
-[![Build Status](https://travis-ci.org/MODFLOW-USGS/modflow6.svg?branch=develop)](https://travis-ci.org/MODFLOW-USGS/modflow6)
+### Version 6.0.3 feat-ptcdist — build 30
+[![Build Status](https://travis-ci.org/MODFLOW-USGS/modflow6.svg?branch=feat-ptcdist)](https://travis-ci.org/MODFLOW-USGS/modflow6)
 
 ## Introduction
 
@@ -31,7 +31,7 @@ MODFLOW 6 is the latest core version of MODFLOW. It synthesizes many of the capa
 
 #### ***Software/Code citation for MODFLOW 6:***
 
-[Langevin, C.D., Hughes, J.D., Banta, E.R., Provost, A.M., Niswonger, R.G., and Panday, Sorab, 2018, MODFLOW 6 Modular Hydrologic Model version 6.0.3 — develop: U.S. Geological Survey Software Release, 14 October 2018, https://doi.org/10.5066/F76Q1VQV](https://doi.org/10.5066/F76Q1VQV)
+[Langevin, C.D., Hughes, J.D., Banta, E.R., Provost, A.M., Niswonger, R.G., and Panday, Sorab, 2018, MODFLOW 6 Modular Hydrologic Model version 6.0.3 — feat-ptcdist: U.S. Geological Survey Software Release, 29 October 2018, https://doi.org/10.5066/F76Q1VQV](https://doi.org/10.5066/F76Q1VQV)
 
 
 ## Instructions for building definition files for new packages

code.json

@@ -1,38 +1,38 @@
 [
     {
-        "status": "Release Candidate",
+        "status": "Release Candidate", 
         "languages": [
             "Fortran2008"
-        ],
-        "repositoryURL": "https://code.usgs.gov/usgs/modflow/modflow6.git",
-        "disclaimerURL": "https://code.usgs.gov/usgs/modflow/modflow6/blob/master/DISCLAIMER.md",
+        ], 
+        "repositoryURL": "https://code.usgs.gov/usgs/modflow/modflow6.git", 
+        "disclaimerURL": "https://code.usgs.gov/usgs/modflow/modflow6/blob/master/DISCLAIMER.md", 
         "tags": [
-            "MODFLOW",
+            "MODFLOW", 
             "groundwater model"
-        ],
-        "vcs": "git",
-        "name": "modflow6",
-        "downloadURL": "https://code.usgs.gov/usgs/modflow/modflow6/archive/master.zip",
+        ], 
+        "vcs": "git", 
+        "name": "modflow6", 
+        "downloadURL": "https://code.usgs.gov/usgs/modflow/modflow6/archive/master.zip", 
         "contact": {
-            "name": "Christian D. Langevin",
+            "name": "Christian D. Langevin", 
             "email": "langevin@usgs.gov"
-        },
-        "laborHours": -1,
-        "version": "6.0.3.25",
+        }, 
+        "laborHours": -1, 
+        "version": "6.0.3.30", 
         "date": {
-            "metadataLastUpdated": "2018-10-14"
-        },
-        "organization": "U.S. Geological Survey",
+            "metadataLastUpdated": "2018-10-29"
+        }, 
+        "organization": "U.S. Geological Survey", 
         "permissions": {
             "licenses": [
                 {
-                    "URL": "https://code.usgs.gov/usgs/modflow/modflow6/blob/master/LICENSE.md",
+                    "URL": "https://code.usgs.gov/usgs/modflow/modflow6/blob/master/LICENSE.md", 
                     "name": "Public Domain, CC0-1.0"
                 }
-            ],
+            ], 
             "usageType": "openSource"
-        },
-        "homepageURL": "https://code.usgs.gov/usgs/modflow/modflow6/",
+        }, 
+        "homepageURL": "https://code.usgs.gov/usgs/modflow/modflow6/", 
         "description": "MODFLOW is the USGS's modular hydrologic model. MODFLOW is considered an international standard for simulating and predicting groundwater conditions and groundwater/surface-water interactions."
     }
 ]

doc/version.tex

@@ -1,3 +1,3 @@
-\newcommand{\modflowversion}{mf6.0.3.25}
-\newcommand{\modflowdate}{October 14, 2018}
+\newcommand{\modflowversion}{mf6.0.3.30}
+\newcommand{\modflowdate}{October 29, 2018}
 \newcommand{\currentmodflowversion}{Version \modflowversion---\modflowdate}

src/Model/GroundWaterFlow/gwf3.f90

@@ -686,7 +686,7 @@ end subroutine gwf_cc
 
   subroutine gwf_ptcchk(this, iptc)
 ! ******************************************************************************
-! gwf_ptc -- check if pseudo-transient continuation factor should be used
+! gwf_ptcchk -- check if pseudo-transient continuation factor should be used
 ! Subroutine: (1) Check if pseudo-transient continuation factor should be used
 ! ******************************************************************************
 !
@@ -743,7 +743,8 @@ subroutine gwf_ptc(this, kiter, neqsln, njasln, ia, ja,                       &
     integer(I4B) :: jcol
     integer(I4B) :: j, jj
     real(DP) :: v
-    real(DP) :: q
+    real(DP) :: resid
+    real(DP) :: ptcdelem1
     real(DP) :: diag
     real(DP) :: diagcnt
     real(DP) :: diagmin
@@ -770,19 +771,28 @@ subroutine gwf_ptc(this, kiter, neqsln, njasln, ia, ja,                       &
       do n = 1, this%dis%nodes
         if (this%npf%ibound(n) < 1) cycle
         jcol = n + this%moffset
-        v = this%dis%get_cell_volume(n, x(jcol))
-        if (v > DZERO) then
-          q = DZERO
-          do j = ia(jcol), ia(jcol+1)-1
-            jj = ja(j)
-            q = q + amatsln(j) * x(jcol)
-          end do
-          q = q - rhs(jcol)
-        else
-          cycle
-        end if
-        q = q / v
-        if (abs(q) > ptcf) ptcf = abs(q)
+        !
+        ! get the maximum volume of the cell (head at top of cell)        
+        v = this%dis%get_cell_volume(n, this%dis%top(n))
+        !
+        ! -- calculate the residual for the cell
+        resid = DZERO
+        do j = ia(jcol), ia(jcol+1)-1
+          jj = ja(j)
+          resid = resid + amatsln(j) * x(jcol)
+        end do
+        resid = resid - rhs(jcol)
+        !
+        ! -- calculate the reciprocal of the pseudo-time step
+        !    resid [L3/T] / volume [L3] = [1/T]
+        ptcdelem1 = abs(resid) / v
+        !
+        ! -- set ptcf if the reciprocal of the pseudo-time step
+        !    exceeds the current value (equivalent to using the 
+        !    smallest pseudo-time step) 
+        if (ptcdelem1 > ptcf) ptcf = ptcdelem1
+        !
+        ! -- determine minimum and maximum diagonal entries
         j = ia(jcol)
         diag = abs(amatsln(j))
         diagcnt = diagcnt + DONE
@@ -791,9 +801,16 @@ subroutine gwf_ptc(this, kiter, neqsln, njasln, ia, ja,                       &
           if (diag > diagmax) diagmax = diag
         end if
       end do
+      !
+      ! -- set the reciprocal of the pseudo-time step
+      !    to a fraction of the minimum or maximum
+      !    diagonal entry to prevent excessively small
+      !    or large values
       if (diagcnt > DZERO) then
+        diagmin = diagmin * DEM1
+        diagmax = diagmax * DEM1
         if (ptcf < diagmin) ptcf = diagmin
-        if (ptcf > diagmax) ptcf = diagmin
+        if (ptcf > diagmax) ptcf = diagmax
       end if
     end if
 

src/Solution/NumericalSolution.f90

@@ -1924,7 +1924,9 @@ subroutine sln_ls(this, kiter, kstp, kper, in_iter, itersum, iptc, ptcf)
           this%ptcdel = this%ptcdel0
         else
           if (this%iptcopt == 0) then
-            this%ptcdel = done / ptcf
+            !
+            ! -- ptcf is the reciprocal of the pseudo-time step
+            this%ptcdel = DONE / ptcf
           else
             bnorm = DZERO
             do n = 1, this%neq
@@ -1944,9 +1946,9 @@ subroutine sln_ls(this, kiter, kstp, kper, in_iter, itersum, iptc, ptcf)
         end if
       end if
       if (this%ptcdel > DZERO) then
-        ptcval = done / this%ptcdel
+        ptcval = DONE / this%ptcdel
       else
-        ptcval = done
+        ptcval = DONE
       end if
       diagmin = DEP20
       bnorm = DZERO

src/Utilities/version.f90

@@ -3,7 +3,7 @@ module VersionModule
   public
   ! -- modflow 6 version
   integer(I4B), parameter :: IDEVELOPMODE = 1
-  character(len=40), parameter :: VERSION = '6.0.3.25 10/14/2018'
+  character(len=40), parameter :: VERSION = '6.0.3.30 10/29/2018'
   character(len=10), parameter :: MFVNAM = ' 6'
   character(len=*), parameter  :: MFTITLE =                                     &
     'U.S. GEOLOGICAL SURVEY MODULAR HYDROLOGIC MODEL'

version.txt

@@ -1,12 +1,12 @@
 # MODFLOW 6 version file automatically created using...pre-commit.py
-# created on...October 14, 2018 14:53:51
+# created on...October 29, 2018 17:42:30
 
 # add some comments on how this version file
 # should be manually updated and used
 
 major = 6
 minor = 0
 micro = 3
-build = 25
-commit = 126
+build = 30
+commit = 131