Merge pull request #308 from ludwig-cf/fix-issue-284

Removal of old i/o routines

CHANGES.md

@@ -1,6 +1,19 @@
 
 ### 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.
+
+- Please use "lb_fluctuations" instead of "isothermal_fluctuations"
+  in the input if you need fluctuations in Navier-Stokes.
+
+- Various code imporvements.
+
 
 version 0.21.0
 

mpi_s/mpi.h

@@ -9,7 +9,7 @@
  *
  *  From an idea appearing in LAMMPS.
  *
- *  (c) 2022 The University of Edinburgh
+ *  (c) 2022-2024 The University of Edinburgh
  *
  *  Kevin Stratford ([email protected])
  *
@@ -53,9 +53,14 @@ typedef intmax_t MPI_Offset;
 
 /* Defined constants (see Annex A.2) */
 
-/* Return codes */
+/* Return codes (add as required) */
 
-enum return_codes {MPI_SUCCESS};
+enum return_codes {
+  MPI_SUCCESS = 0,               /* Success */
+  MPI_ERR_FILE,                  /* Bad file handle */
+  MPI_ERR_NO_SUCH_FILE,          /* File does not exist */
+  MPI_ERR_LASTCODE               /* Must be last */
+};
 
 /* Assorted constants */
 
@@ -152,6 +157,7 @@ enum mpi_order_enum {MPI_ORDER_C, MPI_ORDER_FORTRAN};
 
 #define MPI_MAX_DATAREP_STRING   128   /* E.g., "native" */
 
+
 /* Interface */
 
 int MPI_Barrier(MPI_Comm comm);

mpi_s/mpi_serial.c

@@ -17,7 +17,7 @@
  *  Edinburgh Soft Matter and Statistical Physics Group and
  *  Edinburgh Parallel Computing Centre
  *
- *  (c) 2021-2022 The University of Edinburgh
+ *  (c) 2021-2024 The University of Edinburgh
  *
  *  Kevin Stratford ([email protected])
  *
@@ -1400,7 +1400,7 @@ int MPI_File_open(MPI_Comm comm, const char * filename, int amode,
   if (fp == NULL) {
     printf("MPI_File_open: attempt to open %s mode %s failed\n", filename,
 	   fdmode);
-    exit(0);
+    return MPI_ERR_NO_SUCH_FILE;
   }
 
   *fh = mpi_file_handle_retain(mpi_info, fp);
@@ -1424,7 +1424,7 @@ int MPI_File_close(MPI_File * fh) {
 
   if (fp == NULL) {
     printf("MPI_File_close: invalid file handle\n");
-    exit(0);
+    return MPI_ERR_FILE;
   }
   else {
     fclose(fp);

src/blue_phase.h

@@ -7,7 +7,7 @@
  *  Edinburgh Soft Matter and Statistical Physics Group and
  *  Edinburgh Parallel Computing Centre
  *
- *  (c) 2010-2023 The University of Edinburgh
+ *  (c) 2010-2024 The University of Edinburgh
  *
  *  Contributing authors:
  *    Kevin Stratford ([email protected])
@@ -26,7 +26,6 @@
 #include "free_energy.h"
 #include "field.h"
 #include "field_grad.h"
-#include "io_harness.h"
 
 #include "lc_anchoring.h"
 
@@ -153,9 +152,9 @@ void fe_lc_str_anti_v(fe_lc_t * fe, int index, double s[3][3][NSIMDVL]);
 
 __host__ __device__
 void fe_lc_compute_h_v(fe_lc_t * fe,
-		       double q[3][3][NSIMDVL], 
+		       double q[3][3][NSIMDVL],
 		       double dq[3][3][3][NSIMDVL],
-		       double dsq[3][3][NSIMDVL], 
+		       double dsq[3][3][NSIMDVL],
 		       double h[3][3][NSIMDVL]);
 __host__ __device__
 void fe_lc_compute_stress_v(fe_lc_t * fe,
@@ -185,4 +184,3 @@ __host__ int fe_lc_scalar_ops(double q[3][3], double qs[NQAB]);
 
 
 #endif
-

src/blue_phase_beris_edwards.c

@@ -313,7 +313,6 @@ __host__ int beris_edw_update_host(beris_edw_t * be, fe_t * fe, field_t * fq,
   int index, indexj, indexk;
   int nlocal[3];
   int status;
-  int noise_on = 0;
 
   double q[3][3];
   double w[3][3];
@@ -354,8 +353,7 @@ __host__ int beris_edw_update_host(beris_edw_t * be, fe_t * fe, field_t * fq,
   /* Get kBT, variance of noise and set basis of traceless,
    * symmetric matrices for contraction */
 
-  if (noise) noise_present(noise, NOISE_QAB, &noise_on);
-  if (noise_on) {
+  if (be->param->noise) {
     assert(0); /* check noise kt */
     beris_edw_tmatrix(tmatrix);
   }
@@ -404,7 +402,7 @@ __host__ int beris_edw_update_host(beris_edw_t * be, fe_t * fe, field_t * fq,
 
 	/* Fluctuating tensor order parameter */
 
-	if (noise_on) {
+	if (be->param->noise) {
 	  noise_reap_n(noise, index, NQAB, chi);
 	  for (id = 0; id < NQAB; id++) {
 	    chi[id] = var*chi[id];
@@ -493,7 +491,6 @@ __host__ int beris_edw_update_driver(beris_edw_t * be,
 				     hydro_t * hydro,
 				     map_t * map,
 				     noise_t * noise) {
-  int ison;
   int nlocal[3];
 
   hydro_t * hydrotarget = NULL;
@@ -515,10 +512,7 @@ __host__ int beris_edw_update_driver(beris_edw_t * be,
 
     beris_edw_param_commit(be);
     if (hydro) hydrotarget = hydro->target;
-
-    ison = 0;
-    if (noise) noise_present(noise, NOISE_QAB, &ison);
-    if (ison) noisetarget = noise;
+    if (noise) noisetarget = noise->target;
 
     TIMER_start(BP_BE_UPDATE_KERNEL);
 
@@ -726,7 +720,7 @@ __global__ void beris_edw_kernel_v(kernel_3d_v_t k3v, beris_edw_t * be,
 
     /* Fluctuating tensor order parameter */
 
-    if (noise) {
+    if (be->param->noise) {
 
       for_simd_v(iv, NSIMDVL) {
 

src/blue_phase_beris_edwards.h

@@ -8,7 +8,7 @@
  *
  *  Kevin Stratford ([email protected])
  *
- *  (c) 2009-2020 The University of Edinburgh
+ *  (c) 2009-2024 The University of Edinburgh
  *
  *****************************************************************************/
 
@@ -30,6 +30,7 @@ typedef struct beris_edw_param_s beris_edw_param_t;
 struct beris_edw_param_s {
   double xi;     /* Effective aspect ratio (from relevant free energy) */
   double gamma;  /* Rotational diffusion constant */
+  int    noise;  /* Noise switch */
   double var;    /* Noise variance */
 
   double tmatrix[3][3][NQAB];  /* Constant noise tensor */