Merge pull request #314 from ludwig-cf/release-0.22.0

Release 0.22.0

CHANGES.md

@@ -8,11 +8,23 @@ version 0.22.0
   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.
 
-- Various code imporvements.
+- 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

config/epcc-archer2-hipcc.mk

@@ -30,7 +30,5 @@ MPI_HOME     =
 MPI_INC_PATH =
 MPI_LIB_PATH = -L${HIP_LIB_PATH} -lamdhip64
 
-LAUNCH_SERIAL_CMD =
 LAUNCH_MPIRUN_CMD =
-MPIRUN_NTASK_FLAG =
 

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/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 =

config/unix-hipcc.mk

@@ -12,6 +12,7 @@
 
 BUILD   = serial
 MODEL   = -D_D3Q19_
+TARGET  = hipcc
 
 CC      = hipcc
 CFLAGS  = -x hip -fgpu-rdc -O2
@@ -20,11 +21,5 @@ AR      = ar
 ARFLAGS = -cr
 LDFLAGS = -fgpu-rdc --hip-link
 
-MPI_HOME     =
-MPI_INC_PATH =
-MPI_LIB_PATH =
-
-LAUNCH_SERIAL_CMD =
 LAUNCH_MPIRUN_CMD =
-MPIRUN_NTASK_FLAG =
 

config/unix-mpicc-default.mk

@@ -9,15 +9,9 @@
 
 BUILD   = parallel
 MODEL   = -D_D3Q19_
+TARGET  =
 
-CC      = mpicc
-CFLAGS  = -O -g
+CC      = mpicc -fopenmp
+CFLAGS  = -O2 -g -Wall
 
-
-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

src/model.c → src/lb_data.c

@@ -1,6 +1,6 @@
 /*****************************************************************************
  *
- *  model.c
+ *  lb_data.c
  *
  *  This encapsulates data/operations related to distributions.
  *  However, the implementation of the distribution is exposed
@@ -26,8 +26,6 @@
 #include <stdlib.h>
 #include <string.h>
 
-#include "pe.h"
-#include "coords.h"
 #include "lb_data.h"
 
 #include "timer.h"

version.h

@@ -13,7 +13,7 @@
 #define LUDWIG_VERSION_H
 
 #define LUDWIG_MAJOR_VERSION 0
-#define LUDWIG_MINOR_VERSION 21
+#define LUDWIG_MINOR_VERSION 22
 #define LUDWIG_PATCH_VERSION 0
 
 #endif