RMC: POT3D v3.1.0 - Cleaned up code, added analytic validation run mode, updated documentation and scripts.

Author: sumseq

build.sh

@@ -17,8 +17,8 @@ HDF5_INCLUDE_DIR="/usr/include/hdf5/serial"
 HDF5_LIB_DIR="/usr/lib/x86_64-linux-gnu"
 
 #  Locally installed
-#HDF5_INCLUDE_DIR="/opt/psi/gnu/ext_deps/deps/hdf5/include"
-#HDF5_LIB_DIR="/opt/psi/gnu/ext_deps/deps/hdf5/lib"
+#HDF5_INCLUDE_DIR="/opt/psi/nv/ext_deps/deps/hdf5/include"
+#HDF5_LIB_DIR="/opt/psi/nv/ext_deps/deps/hdf5/lib"
 
 ###########################################################################
 # Please set the HDF5 linker flags to match your installed version of hdf5.
@@ -35,11 +35,11 @@ HDF5_LIB_FLAGS="-lhdf5_serial_fortran -lhdf5_serialhl_fortran -lhdf5_serial -lhd
 # Examples:
 #   GNU (CPU):     FFLAGS="-O3 -mtune=native "
 #   NV/PGI (CPU):  FFLAGS="-O3"
-#   NV/PGI (GPU):  FFLAGS="-O3 -acc=gpu -gpu=cc60,cc70,cuda11.1 -Minfo=accel"
+#   NV/PGI (GPU):  FFLAGS="-O3 -acc=gpu -gpu=cc60,cc70,cuda11.2 -Minfo=accel"
 #   INTEL (CPU):   FFLAGS="-O3 -fp-model precise -assume byterecl -heap-arrays -xCORE-AVX2 -axCORE-AVX512"
 ###########################################################################
 
-FFLAGS="-O3 -mtune=native"
+FFLAGS="-O3"
 
 ###########################################################################
 ###########################################################################
@@ -53,7 +53,8 @@ sed -i "s#<FFLAGS>#${FFLAGS}#g" Makefile
 sed -i "s#<HDF5_INCLUDE_DIR>#${HDF5_INCLUDE_DIR}#g" Makefile
 sed -i "s#<HDF5_LIB_DIR>#${HDF5_LIB_DIR}#g" Makefile
 sed -i "s#<HDF5_LIB_FLAGS>#${HDF5_LIB_FLAGS}#g" Makefile
-make
+echo "make 1>build.log 2>build.err"
+make 1>build.log 2>build.err
 
 echo "cp ${POT3D_HOME}/src/pot3d ${POT3D_HOME}/bin/pot3d"
 

pot3d_input_documentation.txt

@@ -19,6 +19,9 @@
                               !  'open'      Open field.  Used for current sheet (CS)
                               !              and fully open field runs.
                               !              Note! Resulting B field will be unsigned.
+  validation_run=.false.      !  Set this to run a validation test with an analytic tilted 
+                              !  dipole solution. This overrides other inputs.
+  dipole_angle=0.7853981633974483  !  Angle to tilt dipole in validation run.
 !
 ! ****** Input options.
 !
@@ -95,10 +98,12 @@
   epscg=1.e-9                 ! Solver convergence tolerance, |residual|/|right-hand-side|.
 !
   ncghist=0                   ! Iteration information.
-                              !   0    Only writes out total iterations.
-                              !   1    Writes out residuals for all iterations.
+                              !   0    Only writes out total iteration number.
+                              !   >0   Writes out every NCGHIST iteration residual.
 !
-  ncgmax=10000000             ! Maximum solver iterations.
+  ncgflush=25                 ! Flush output file every NGCFLUSH iterations.
+!
+  ncgmax=5000             ! Maximum solver iterations.
                               ! If solver does not converge in ncgmax iterations,
                               ! the code will exit with an error.
 !