Merge pull request #315 from ludwig-cf/develop

Release 0.22.0

.github/workflows/codecov.yml

@@ -5,7 +5,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Checkout
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
       - name: Build and run the unit tests
         run: |
           cp config/coverage-gcc.mk config.mk

.github/workflows/codeql-analysis.yml

@@ -36,7 +36,7 @@ jobs:
 
     steps:
     - name: Checkout repository
-      uses: actions/checkout@v3
+      uses: actions/checkout@v4
 
     # Initializes the CodeQL tools for scanning.
     - name: Initialize CodeQL

.github/workflows/regression.yml

@@ -1,6 +1,6 @@
 # Regression tests (serial)
 
-name: "Regression"
+name: "build, test"
 
 on:
   pull_request:
@@ -15,7 +15,7 @@ jobs:
 
     steps:
     - name: Checkout repository
-      uses: actions/checkout@v3
+      uses: actions/checkout@v4
 
     - name: Build
       run: |
@@ -35,7 +35,7 @@ jobs:
 
     steps:
     - name: Checkout repository
-      uses: actions/checkout@v3
+      uses: actions/checkout@v4
 
     - name: Build
       run: |
@@ -49,13 +49,14 @@ jobs:
       run: |
         make unit
         make -C tests d3q15
+        cat tests/regression/d3q15/*.new
 
   make-d3q19-short:
     runs-on: ubuntu-latest
 
     steps:
     - name: Checkout repository
-      uses: actions/checkout@v3
+      uses: actions/checkout@v4
 
     - name: Build
       run: |
@@ -75,7 +76,7 @@ jobs:
 
     steps:
     - name: Checkout repository
-      uses: actions/checkout@v3
+      uses: actions/checkout@v4
 
     - name: Build
       run: |
@@ -90,3 +91,39 @@ jobs:
       run: |
         make unit
         make -C tests d3q27
+
+  d2q9-mpi:
+    name: d2q9 / mpi
+    runs-on: ubuntu-latest
+
+    steps:
+    - name: Checkout repository
+      uses: actions/checkout@v4
+    - name: Set up MPI
+      uses: mpi4py/setup-mpi@v1
+    - run: mpicc --version
+    - run: cp config/github-mpicc.mk config.mk
+    - run: make -j 2
+    - run: export OMP_NUM_THREADS=2
+    - run: make unit
+    - run: export OMP_NUM_THREADS=1
+    - run: make -C tests d2q9
+
+  d3q15-mpi:
+    name: d3q15 / mpi
+    runs-on: ubuntu-latest
+
+    steps:
+    - name: Checkout repository
+      uses: actions/checkout@v4
+    - name: Set up MPI
+      uses: mpi4py/setup-mpi@v1
+    - run: mpicc --version
+    - run: cp config/github-mpicc.mk config.mk
+    - run: sed -i "s/D2Q9/D3Q15/" config.mk
+    - run: make -j 2
+    - run: export OMP_NUM_THREADS=2
+    - run: make unit
+    - run: export OMP_NUM_THREADS=1
+    - run: make -C tests d3q15
+    - run: cat tests/regression/d3q15/*new

CHANGES.md

@@ -1,6 +1,31 @@
 
 ### Changes
 
+version 0.22.0
+
+- Removal of original "ansi" I/O (Issue 284).
+  The "ansi" parallel i/o has been removed in favour of mpi/io
+  for lattice quantities. This change should be transparent in most
+  cases. Old "ansi" parallel i/o restart files will no longer work
+  if the there was more than one output file per step.
+  See e.g., https://ludwig.epcc.ed.ac.uk/outputs/fluid.html
+
+- In a related change, there is a slight change in the way porous
+  media files are read at start time. See, e.g.,
+  https://ludwig.epcc.ed.ac.uk/inputs/porous.html
+
+- Please use "lb_fluctuations" instead of "isothermal_fluctuations"
+  in the input if you need fluctuations in Navier-Stokes.
+
+- A lubrication correction between ellipsoids and plane walls has
+  been added. See https://ludwig.epcc.ed.ac.uk/inputs/walls.html
+
+- There has been a change to the config.mk file which involves the way
+  the tests are run: only the `"LAUNCH_MPIRUN_CMD` variable is now used.
+  See https://ludwig.epcc.ed.ac.uk/building/index.html
+
+- Various minor code improvements, and improvements in testing.
+
 
 version 0.21.0
 

README.md

@@ -3,7 +3,7 @@
 
 A lattice Boltzmann code for complex fluids
 
-[![Build Status](https://travis-ci.com/ludwig-cf/ludwig.svg?branch=develop)](https://travis-ci.com/ludwig-cf/ludwig)
+![Build Status](https://github.com/ludwig-cf/ludwig/actions/workflows/regression.yml/badge.svg)
 [![CII Best Practices](https://bestpractices.coreinfrastructure.org/projects/1998/badge)](https://bestpractices.coreinfrastructure.org/projects/1998)
 
 

config/epcc-archer2-hipcc.mk

@@ -0,0 +1,34 @@
+##############################################################################
+#
+#  epcc-archer2-hipcc.mk
+#
+#  ROCM 5.2.3.
+#
+#  module load PrgEnv-amd
+#
+#  -fgpu-rdc  is equivalent of nvcc -dc for relocatable device code
+#             [allows multiple translation units]
+#  --hip-link required at link time
+#
+##############################################################################
+
+BUILD   = parallel
+MODEL   = -D_D3Q19_
+TARGET  = hipcc
+
+CFLAGS_EXTRA = -mllvm -amdgpu-early-inline-all=true -mllvm -amdgpu-function-calls=false
+
+CC      = cc
+
+CFLAGS  = -x hip -fgpu-rdc -O2 -DADDR_SOA $(CFLAGS_EXTRA) --offload-arch=gfx90a
+
+AR      = ar
+ARFLAGS = -cr
+LDFLAGS = -fgpu-rdc --hip-link --offload-arch=gfx90a
+
+MPI_HOME     =
+MPI_INC_PATH =
+MPI_LIB_PATH = -L${HIP_LIB_PATH} -lamdhip64
+
+LAUNCH_MPIRUN_CMD =
+

config/epcc-archer2.mk

@@ -4,23 +4,19 @@
 #  https://www.archer2.ac.uk
 #
 #  PrgEnv-cray
-#    - Use cce >= 12 to avoid problem in openmp
-#    - "module load cce/12.0.3"
+#  PrgEnv-gnu
 #
-#  Same compiler options for all PrgEnv are available.
+#  But prefer PrgEnv-aocc
+#    - CFLAGS = -DADDR_SOA -Ofast -DNDSIMDVL=1 ...
+#      for just about the best performance
 #
 ##############################################################################
 
 BUILD   = parallel
 MODEL   = -D_D3Q19_
+TARGET  =
 
 CC      = cc -fopenmp
-CFLAGS  = -g -O3 -Wall -DNSIMDVL=2 -DNDEBUG
+CFLAGS  = -g -Ofast -Wall -DNSIMDVL=1 -DADDR_SOA -DNDEBUG
 
-MPI_INC_PATH      =
-MPI_LIB_PATH      =
-MPI_LIB           =
-
-LAUNCH_SERIAL_CMD =
-LAUNCH_MPIRUN_CMD = srun
-MPIRUN_NTASK_FLAG = -n
+LAUNCH_MPIRUN_CMD = srun --ntasks=1

config/epcc-cirrus-intel.mk

@@ -22,10 +22,4 @@ CFLAGS = -fast -DNDEBUG -DNSIMDVL=4
 AR = ar
 ARFLAGS = -cru
 
-MPI_INC_PATH      =
-MPI_LIB_PATH      =
-MPI_LIB           =
-
-LAUNCH_SERIAL_CMD =
-LAUNCH_MPIRUN_CMD = mpirun
-MPIRUN_NTASK_FLAG = -np
+LAUNCH_MPIRUN_CMD = mpirun -np 1

config/epcc-cirrus-nvcc-openmpi.mk

@@ -0,0 +1,35 @@
+###############################################################################
+#
+#  nvcc build
+#
+#  Here with GPU-aware MPI via specific OpenMPI build, which has
+#  slurm support.
+#
+#  module load gcc
+#  module load openmpi/4.1.6-cuda-12.4 
+#  module load nvidia/nvhpc-nompi/24.5
+#
+###############################################################################
+
+BUILD  = parallel
+MODEL  = -D_D3Q19_
+TARGET = nvcc
+
+CC     = nvcc
+CFLAGS = -g -DADDR_SOA -O3 -arch=sm_70 -x cu -dc -DHAVE_OPENMPI_ # -DNDEBUG
+
+# PTX assembler extra information:  -Xptxas -v
+# Alternative compiler, e.g., Intel: -ccbin=icpc -Xcompiler -fast
+
+AR = ar
+ARFLAGS = -cr
+LDFLAGS = -arch=sm_70
+
+# MPI_HOME is provided by the OpenMPI module
+
+MPI_INC_PATH = -I${MPI_HOME}/include
+MPI_LIB_PATH = -L${MPI_HOME}/lib -lmpi
+
+# ... and has slurm support ...
+
+LAUNCH_MPIRUN_CMD = srun --ntasks=1

config/epcc-cirrus-nvcc.mk

@@ -2,18 +2,15 @@
 #
 #  nvcc build
 #
-#  There are a number of ways forward here... see further comments below
+#  "Serial" build.
 #
-#  E.g., serial with stub MPI
-#  module load nvidia/nvhpc-nompi/22.11
-#
-#  E.g., parallel using NVHPC with MPI ...
-#  module load nvidia/nvhpc/22.11
+#  module load nvidia/nvhpc-nompi
 #
 ###############################################################################
 
-BUILD  = parallel
+BUILD  = serial
 MODEL  = -D_D3Q19_
+TARGET = nvcc
 
 CC     = nvcc
 CFLAGS = -g -DADDR_SOA -O2 -arch=sm_70 -x cu -dc
@@ -24,13 +21,3 @@ CFLAGS = -g -DADDR_SOA -O2 -arch=sm_70 -x cu -dc
 AR = ar
 ARFLAGS = -cr
 LDFLAGS = -arch=sm_70
-
-# nvhpc (mpicc is present but drives nvc not nvcc) so use nvcc still ... but
-MPI_HOME     = ${NVHPC_ROOT}/comm_libs/mpi
-MPI_INC_PATH = -I$(MPI_HOME)/include
-MPI_LIB_PATH = -L$(MPI_HOME)/lib -lmpi
-
-# NVHPC bundled MPI must use mpirun supplied ...
-LAUNCH_SERIAL_CMD =
-LAUNCH_MPIRUN_CMD = mpirun
-MPIRUN_NTASK_FLAG = -np

config/travis-mpicc.mk → config/github-mpicc.mk

@@ -1,25 +1,19 @@
 ##############################################################################
 #
-#  travis-mpicc.mk
+#  github-mpicc.mk
 #
-#  Parallel unit tests
+#  We expect mpicc driving gcc; tests run on two mpi processes.
 #
 ##############################################################################
 
 BUILD   = parallel
-MODEL   = -D_D3Q19_
+MODEL   = -D_D2Q9_
 
 CC      = mpicc -fopenmp
-CFLAGS  = -O2 -g -Wall -Werror
+CFLAGS  = -g -Wall -O2
 
 AR      = ar
 ARFLAGS = -cru
 LDFLAGS =
 
-LAUNCH_SERIAL_CMD =
-LAUNCH_MPIRUN_CMD = mpirun --oversubscribe
-MPIRUN_NTASK_FLAG = -np
-
-# Unit tests only
-MPIRUN_NTASK_UNIT = 4
-
+LAUNCH_MPIRUN_CMD = mpirun -np 2

config/unix-gcc-default.mk

@@ -8,6 +8,7 @@
 
 BUILD   = serial
 MODEL   = -D_D3Q19_
+TARGET  =
 
 CC      = gcc
 CFLAGS  = -O -g -Wall
@@ -16,9 +17,4 @@ AR      = ar
 ARFLAGS = -cru
 LDFLAGS =
 
-MPI_INC_PATH      = ./mpi_s
-MPI_LIB_PATH      = ./mpi_s
-MPI_LIB           = -lmpi
-
-LAUNCH_SERIAL_CMD =
 LAUNCH_MPIRUN_CMD =