added distributed-memory parallelism using MPI, overhaul of error and message routines.

Former-commit-id: 41472e03d439a86511b8a379cf77da84c8dd4d0e

src/Makefile.am

@@ -20,8 +20,8 @@
 AUTOMAKE_OPTIONS=gnu
 
 # Add the debug flag to the whole thing
-AM_CFLAGS = -g -O3 -Wall -Werror -ffast-math -fstrict-aliasing -ftree-vectorize \
-    -funroll-loops $(SIMD_FLAGS) $(OPENMP_CFLAGS) \
+AM_CFLAGS = -g -O3 -std=gnu99 -Wall -Werror -ffast-math -fstrict-aliasing \
+    -ftree-vectorize -funroll-loops $(SIMD_FLAGS) $(OPENMP_CFLAGS) \
     -DTIMER -DCOUNTER -DCPU_TPS=2.30e9 
 # AM_CFLAGS = -Wall -Werror $(OPENMP_CFLAGS) \
 #     -DTIMER -DCOUNTER -DCPU_TPS=2.67e9
@@ -31,10 +31,24 @@ AM_LDFLAGS = $(LAPACK_LIBS) $(BLAS_LIBS) $(HDF5_LDFLAGS) -version-info 0:0:0
 
 # Build the libswiftsim library
 lib_LTLIBRARIES = libswiftsim.la
-libswiftsim_la_SOURCES = space.c runner.c queue.c task.c cell.c engine.c \
-    io.c timers.c debug.c scheduler.c
+# Build a MPI-enabled version too?
+if HAVEMPI
+lib_LTLIBRARIES += libswiftsim_mpi.la
+endif
 
 # List required headers
 include_HEADERS = space.h runner.h queue.h task.h lock.h cell.h part.h const.h \
-    engine.h swift.h io.h timers.h debug.h scheduler.h
+    engine.h swift.h io.h timers.h debug.h scheduler.h proxy.h
+
+# Common source files
+AM_SOURCES = space.c runner.c queue.c task.c cell.c engine.c \
+    io.c timers.c debug.c scheduler.c proxy.c
+    
+# Sources and flags for regular library
+libswiftsim_la_SOURCES = $(AM_SOURCES)
+
+# Sources and flags for MPI library
+libswiftsim_mpi_la_SOURCES = $(AM_SOURCES)
+libswiftsim_mpi_la_CFLAGS = $(AM_CFLAGS) -DWITH_MPI
+libswiftsim_mpi_la_SHORTNAME = mpi
 

src/cell.c

@@ -29,22 +29,144 @@
 #include <limits.h>
 #include <math.h>
 
+/* MPI headers. */
+#ifdef WITH_MPI
+    #include <mpi.h>
+#endif
+
 /* Switch off timers. */
 #ifdef TIMER
     #undef TIMER
 #endif
 
 /* Local headers. */
+#include "const.h"
 #include "cycle.h"
 #include "lock.h"
 #include "task.h"
 #include "timers.h"
 #include "part.h"
+#include "space.h"
 #include "cell.h"
 #include "error.h"
 #include "inline.h"
 
 
+/**
+ * @brief Get the size of the cell subtree.
+ *
+ * @param c The #cell.
+ */
+ 
+int cell_getsize ( struct cell *c ) {
+
+    int k, count = 1;
+    
+    /* Sum up the progeny if split. */
+    if ( c->split )
+        for ( k = 0 ; k < 8 ; k++ )
+            if ( c->progeny[k] != NULL )
+                count += cell_getsize( c->progeny[k] );
+                
+    /* Return the final count. */
+    return count;
+
+    }
+
+
+/** 
+ * @brief Unpack the data of a given cell and its sub-cells.
+ *
+ * @param pc An array of packed #pcell.
+ * @param c The #cell in which to unpack the #pcell.
+ * @param s The #space in which the cells are created.
+ * @param parts The #part array holding the particle data.
+ *
+ * @return The number of cells created.
+ */
+ 
+int cell_unpack ( struct pcell *pc , struct cell *c , struct space *s , struct part *parts ) {
+
+    int k, count = 1;
+    struct cell *temp;
+    
+    /* Unpack the current pcell. */
+    c->h_max = pc->h_max;
+    c->dt_min = pc->dt_min;
+    c->dt_max = pc->dt_max;
+    c->count = pc->count;
+    c->parts = parts;
+    
+    /* Fill the progeny recursively, depth-first. */
+    for ( k = 0 ; k < 8 ; k++ )
+        if ( pc->progeny[k] >= 0 ) {
+            temp = space_getcell( s );
+            temp->count = 0;
+            temp->loc[0] = c->loc[0];
+            temp->loc[1] = c->loc[1];
+            temp->loc[2] = c->loc[2];
+            temp->h[0] = c->h[0]/2;
+            temp->h[1] = c->h[1]/2;
+            temp->h[2] = c->h[2]/2;
+            temp->dmin = c->dmin/2;
+            if ( k & 4 )
+                temp->loc[0] += temp->h[0];
+            if ( k & 2 )
+                temp->loc[1] += temp->h[1];
+            if ( k & 1 )
+                temp->loc[2] += temp->h[2];
+            temp->depth = c->depth + 1;
+            temp->split = 0;
+            temp->dx_max = 0.0;
+            temp->nodeID = c->nodeID;
+            temp->parent = c;
+            c->progeny[k] = temp;
+            c->split = 1;
+            count += cell_unpack( &pc[ pc->progeny[k] ] , temp , s , parts );
+            parts = &parts[ temp->count ];
+            }
+            
+    /* Return the total number of unpacked cells. */
+    return count;
+
+    }
+
+
+/**
+ * @brief Pack the data of the given cell and all it's sub-cells.
+ *
+ * @param c The #cell.
+ * @param pc Pointer to an array of packed cells in which the
+ *      cells will be packed.
+ *
+ * @return The number of packed cells.
+ */
+ 
+int cell_pack ( struct cell *c , struct pcell *pc ) {
+
+    int k, count = 1;
+    
+    /* Start by packing the data of the current cell. */
+    pc->h_max = c->h_max;
+    pc->dt_min = c->dt_min;
+    pc->dt_max = c->dt_max;
+    pc->count = c->count;
+    
+    /* Fill in the progeny, depth-first recursion. */
+    for ( k = 0 ; k < 8 ; k++ )
+        if ( c->progeny[k] != NULL ) {
+            pc->progeny[k] = count;
+            count += cell_pack( c->progeny[k] , &pc[count] );
+            }
+        else
+            pc->progeny[k] = -1;
+            
+    /* Return the number of packed cells used. */
+    return count;
+
+    }
+
+
 /**
  * @brief Lock a cell and hold its parents.
  *
@@ -195,7 +317,7 @@ void cell_split ( struct cell *c  ) {
             }
         /* for ( int kk = left[k] ; kk <= j ; kk++ )
             if ( parts[kk].x[1] > pivot[1] ) {
-                printf( "cell_split: ival=[%i,%i], i=%i, j=%i.\n" , left[k] , right[k] , i , j );
+                message( "ival=[%i,%i], i=%i, j=%i." , left[k] , right[k] , i , j );
                 error( "sorting failed (left)." );
                 }
         for ( int kk = i ; kk <= right[k] ; kk++ )
@@ -220,12 +342,12 @@ void cell_split ( struct cell *c  ) {
             }
         /* for ( int kk = left[k] ; kk <= j ; kk++ )
             if ( parts[kk].x[2] > pivot[2] ) {
-                printf( "cell_split: ival=[%i,%i], i=%i, j=%i.\n" , left[k] , right[k] , i , j );
+                message( "ival=[%i,%i], i=%i, j=%i." , left[k] , right[k] , i , j );
                 error( "sorting failed (left)." );
                 }
         for ( int kk = i ; kk <= right[k] ; kk++ )
             if ( parts[kk].x[2] < pivot[2] ) {
-                printf( "cell_split: ival=[%i,%i], i=%i, j=%i.\n" , left[k] , right[k] , i , j );
+                message( "ival=[%i,%i], i=%i, j=%i." , left[k] , right[k] , i , j );
                 error( "sorting failed (right)." );
                 } */
         left[2*k+1] = i; right[2*k+1] = right[k];

src/cell.h

@@ -21,6 +21,21 @@
 #define cell_sid_dt                 13
 
 
+/* Packed cell. */
+struct pcell {
+
+    /* Stats on this cell's particles. */
+    double h_max, dt_min, dt_max;
+    
+    /* Number of particles in this cell. */
+    int count;
+    
+    /* Relative indices of the cell's progeny. */
+    int progeny[8];
+
+    };
+
+
 /* Structure to store the data of a single cell. */
 struct cell {
 
@@ -78,12 +93,15 @@ struct cell {
     int sortsize;
     
     /* The tasks computing this cell's density. */
-    struct task *density[27];
-    int nr_density;
+    struct task *density[27], *force[27];
+    int nr_density, nr_force;
     
     /* The ghost task to link density to interactions. */
     struct task *ghost, *kick1, *kick2;
     
+    /* Task receiving data. */
+    struct task *recv_xv, *recv_rho;
+    
     /* Number of tasks that are associated with this cell. */
     int nr_tasks;
     
@@ -111,6 +129,16 @@ struct cell {
     /* Linking pointer for "memory management". */
     struct cell *next;
     
+    /* ID of the node this cell lives on. */
+    int nodeID;
+    
+    /* Bit mask of the proxies this cell is registered with. */
+    unsigned int sendto;
+    
+    /* Pointer to this cell's packed representation. */
+    struct pcell *pcell;
+    int pcell_size;
+    
     } __attribute__((aligned (64)));
 
 
@@ -118,3 +146,6 @@ struct cell {
 void cell_split ( struct cell *c  );
 int cell_locktree( struct cell *c );
 void cell_unlocktree( struct cell *c );
+int cell_pack ( struct cell *c , struct pcell *pc );
+int cell_unpack ( struct pcell *pc , struct cell *c , struct space *s , struct part *parts );
+int cell_getsize ( struct cell *c );

src/engine.h

@@ -28,11 +28,17 @@
 #define engine_policy_fixdt         16
 #define engine_policy_multistep     32
 #define engine_policy_cputight      64
+#define engine_policy_mpi           128
+#define engine_policy_setaffinity   256
 
 #define engine_queue_scale          1.2
 #define engine_maxtaskspercell      32
 
 
+/* The rank of the engine as a global variable (for messages). */
+extern int engine_rank;
+
+
 /* Data structure for the engine. */
 struct engine {
 
@@ -77,12 +83,21 @@ struct engine {
     pthread_cond_t barrier_cond;
     volatile int barrier_running, barrier_launch, barrier_launchcount;
     
+    /* ID of the node this engine lives on. */
+    int nr_nodes, nodeID;
+    
+    /* Proxies for the other nodes in this simulation. */
+    struct proxy *proxies;
+    int nr_proxies, *proxy_ind;
+    
     };
 
 
 /* Function prototypes. */
 void engine_barrier( struct engine *e , int tid );
-void engine_init ( struct engine *e , struct space *s , float dt , int nr_threads , int nr_queues , int policy );
+void engine_init ( struct engine *e , struct space *s , float dt , int nr_threads , int nr_queues , int nr_nodes , int nodeID , int policy );
 void engine_prepare ( struct engine *e );
 void engine_step ( struct engine *e );
 void engine_maketasks ( struct engine *e );
+void engine_split ( struct engine *e , int *grid );
+int engine_exchange_strays ( struct engine *e , struct part *parts , struct xpart *xparts , int *ind , int N );

src/error.h

@@ -20,8 +20,26 @@
 
 #include <stdio.h>
 
+
 /**
  * @brief Error macro. Prints the message given in argument and aborts.
  *
  */
-#define error(s) { fprintf( stderr , "%s:%s():%i: %s\n" , __FILE__ , __FUNCTION__ , __LINE__ , s ); abort(); }
+#ifdef WITH_MPI
+    extern int engine_rank;
+    #define error(s, ...) { fprintf( stderr , "[%03i] %s:%s():%i: " s "\n" , engine_rank , __FILE__ , __FUNCTION__ , __LINE__ , ##__VA_ARGS__ ); MPI_Abort( MPI_COMM_WORLD , 0 ); abort(); }
+#else
+    #define error(s, ...) { fprintf( stderr , "%s:%s():%i: " s "\n" , __FILE__ , __FUNCTION__ , __LINE__ , ##__VA_ARGS__ ); abort(); }
+#endif
+
+
+/**
+ * @brief Macro to print a localized message with variable arguments.
+ *
+ */
+#ifdef WITH_MPI
+    extern int engine_rank;
+    #define message(s, ...) printf( "%s[%03i]: " s "\n" , __FUNCTION__ , engine_rank , ##__VA_ARGS__ )
+#else
+    #define message(s, ...) printf( "%s: " s "\n" , __FUNCTION__ , ##__VA_ARGS__ )
+#endif

src/io.c

@@ -32,6 +32,12 @@
 #include <hdf5.h>
 #include <math.h>
 
+/* MPI headers. */
+#ifdef WITH_MPI
+    #include <mpi.h>
+#endif
+
+#include "const.h"
 #include "cycle.h"
 #include "lock.h"
 #include "task.h"
@@ -120,17 +126,13 @@ void readAttribute(hid_t grp, char* name, enum DATA_TYPE type, void* data)
   h_attr = H5Aopen(grp, name, H5P_DEFAULT);
   if(h_attr < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while opening attribute '%s'\n", name);
-      error(buf);
+      error( "Error while opening attribute '%s'" , name );
     }
 
   h_err = H5Aread(h_attr, hdf5Type(type), data);
   if(h_err < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while reading attribute '%s'\n", name);
-      error(buf);
+      error( "Error while reading attribute '%s'" , name );
     }
 
   H5Aclose(h_attr);
@@ -168,21 +170,17 @@ void readArrayBackEnd(hid_t grp, char* name, enum DATA_TYPE type, int N, int dim
   exist = H5Lexists(grp, name, 0);
   if(exist < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while checking the existence of data set '%s'\n", name);
-      error(buf);
+      error( "Error while checking the existence of data set '%s'." , name );
     }
   else if(exist == 0)
     {
       if(importance == COMPULSORY)
 	{
-	  char buf[100];
-	  sprintf(buf, "Compulsory data set '%s' not present in the file.\n", name);
-	  error(buf);
+	  error( "Compulsory data set '%s' not present in the file." , name );
 	}
       else
 	{
-	  /* printf("readArray: Optional data set '%s' not present. Zeroing this particle field...\n", name);	   */
+	  /* message("Optional data set '%s' not present. Zeroing this particle field...", name);	   */
 	  
 	  for(i=0; i<N; ++i)
 	    memset(part_c+i*partSize, 0, copySize);
@@ -191,15 +189,13 @@ void readArrayBackEnd(hid_t grp, char* name, enum DATA_TYPE type, int N, int dim
 	}
    }
 
-  /* printf("readArray: Reading %s '%s' array...\n", importance == COMPULSORY ? "compulsory": "optional  ", name); */
+  /* message( "Reading %s '%s' array...", importance == COMPULSORY ? "compulsory": "optional  ", name); */
 
   /* Open data space */
   h_data = H5Dopen1(grp, name);
   if(h_data < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while opening data space '%s'\n", name);
-      error(buf);
+      error( "Error while opening data space '%s'." , name );
     }
 
   /* Check data type */
@@ -220,9 +216,7 @@ void readArrayBackEnd(hid_t grp, char* name, enum DATA_TYPE type, int N, int dim
   h_err = H5Dread(h_data, hdf5Type(type), H5S_ALL, H5S_ALL, H5P_DEFAULT, temp);
   if(h_err < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while reading data array '%s'\n", name);
-      error(buf);
+      error( "Error while reading data array '%s'." , name );
     }
 
   /* Copy temporary buffer to particle data */
@@ -277,17 +271,15 @@ void read_ic ( char* fileName, double dim[3], struct part **parts,  int* N, int*
   int numParticles[6]={0};   /* GADGET has 6 particle types. We only keep the type 0*/
 
   /* Open file */
-  /* printf("read_ic: Opening file '%s' as IC.\n", fileName); */
+  /* message("Opening file '%s' as IC.", fileName); */
   h_file = H5Fopen(fileName, H5F_ACC_RDONLY, H5P_DEFAULT);
   if(h_file < 0)
     {
-      char buf[200];
-      sprintf(buf, "Error while opening file '%s'", fileName);
-      error(buf);
+      error( "Error while opening file '%s'." , fileName );
     }
 
   /* Open header to read simulation properties */
-  /* printf("read_ic: Reading runtime parameters...\n"); */
+  /* message("Reading runtime parameters..."); */
   h_grp = H5Gopen1(h_file, "/RuntimePars");
   if(h_grp < 0)
     error("Error while opening runtime parameters\n");
@@ -299,7 +291,7 @@ void read_ic ( char* fileName, double dim[3], struct part **parts,  int* N, int*
   H5Gclose(h_grp);
   
   /* Open header to read simulation properties */
-  /* printf("read_ic: Reading file header...\n"); */
+  /* message("Reading file header..."); */
   h_grp = H5Gopen1(h_file, "/Header");
   if(h_grp < 0)
     error("Error while opening file header\n");
@@ -313,7 +305,7 @@ void read_ic ( char* fileName, double dim[3], struct part **parts,  int* N, int*
   dim[1] = ( boxSize[1] < 0 ) ? boxSize[0] : boxSize[1];
   dim[2] = ( boxSize[2] < 0 ) ? boxSize[0] : boxSize[2];
 
-  /* printf("read_ic: Found %d particles in a %speriodic box of size [%f %f %f]\n",  */
+  /* message("Found %d particles in a %speriodic box of size [%f %f %f].",  */
   /* 	 *N, (periodic ? "": "non-"), dim[0], dim[1], dim[2]); */
 
   /* Close header */
@@ -324,10 +316,10 @@ void read_ic ( char* fileName, double dim[3], struct part **parts,  int* N, int*
     error("Error while allocating memory for particles");
   bzero( *parts , *N * sizeof(struct part) );
 
-  /* printf("read_ic: Allocated %8.2f MB for particles.\n", *N * sizeof(struct part) / (1024.*1024.)); */
+  /* message("Allocated %8.2f MB for particles.", *N * sizeof(struct part) / (1024.*1024.)); */
 		  
   /* Open SPH particles group */
-  /* printf("read_ic: Reading particle arrays...\n"); */
+  /* message("Reading particle arrays..."); */
   h_grp = H5Gopen1(h_file, "/PartType0");
   if(h_grp < 0)
     error( "Error while opening particle group.\n");
@@ -346,7 +338,7 @@ void read_ic ( char* fileName, double dim[3], struct part **parts,  int* N, int*
   /* Close particle group */
   H5Gclose(h_grp);
 
-  /* printf("read_ic: Done Reading particles...\n"); */
+  /* message("Done Reading particles..."); */
 
   /* Close file */
   H5Fclose(h_file);
@@ -385,33 +377,25 @@ void writeAttribute(hid_t grp, char* name, enum DATA_TYPE type, void* data, int
   h_space = H5Screate(H5S_SIMPLE);
   if(h_space < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while creating dataspace for attribute '%s'\n", name);
-      error(buf);
+      error( "Error while creating dataspace for attribute '%s'." , name );
     }
 
   h_err = H5Sset_extent_simple(h_space, 1, dim, NULL);
   if(h_err < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while changing dataspace shape for attribute '%s'\n", name);
-      error(buf);
+      error( "Error while changing dataspace shape for attribute '%s'." , name );
     }
 
   h_attr = H5Acreate1(grp, name, hdf5Type(type), h_space, H5P_DEFAULT);
   if(h_attr < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while creating attribute '%s'\n", name);
-      error(buf);
+      error( "Error while creating attribute '%s'.", name );
     }
 
   h_err = H5Awrite(h_attr, hdf5Type(type), data);
   if(h_err < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while reading attribute '%s'\n", name);
-      error(buf);
+      error( "Error while reading attribute '%s'." , name );
     }
 
   H5Sclose(h_space);
@@ -435,41 +419,31 @@ void writeStringAttribute(hid_t grp, char* name, char* str, int length)
   h_space = H5Screate(H5S_SCALAR);
   if(h_space < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while creating dataspace for attribute '%s'\n", name);
-      error(buf);
+      error( "Error while creating dataspace for attribute '%s'." , name );
     }
 
   h_type = H5Tcopy(H5T_C_S1);
   if(h_type < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while copying datatype 'H5T_C_S1'\n");
-      error(buf);
+      error( "Error while copying datatype 'H5T_C_S1'." );
     }
 
   h_err = H5Tset_size(h_type, length);
   if(h_err < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while resizing attribute tyep to '%i'\n", length);
-      error(buf);
+      error( "Error while resizing attribute tyep to '%i'." , length );
     }
 
   h_attr = H5Acreate1(grp, name, h_type, h_space, H5P_DEFAULT);
   if(h_attr < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while creating attribute '%s'\n", name);
-      error(buf);
+      error( "Error while creating attribute '%s'." , name );
     }
 
   h_err = H5Awrite(h_attr, h_type, str );
   if(h_err < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while reading attribute '%s'\n", name);
-      error(buf);
+      error( "Error while reading attribute '%s'." , name );
     }
 
   H5Tclose(h_type);
@@ -562,7 +536,7 @@ void writeArrayBackEnd(hid_t grp, char* fileName, FILE* xmfFile, char* name, enu
   char* temp_c = 0;
   hsize_t shape[2];
 
-  /* printf("writeArray: Writing '%s' array...\n", name); */
+  /* message("Writing '%s' array...", name); */
 
   /* Allocate temporary buffer */
   temp = malloc(N * dim * sizeOfType(type));
@@ -578,9 +552,7 @@ void writeArrayBackEnd(hid_t grp, char* fileName, FILE* xmfFile, char* name, enu
   h_space = H5Screate(H5S_SIMPLE);
   if(h_space < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while creating data space for field '%s'\n", name);
-      error(buf);      
+      error( "Error while creating data space for field '%s'." , name );
     }
   
   if(dim > 1)
@@ -598,27 +570,21 @@ void writeArrayBackEnd(hid_t grp, char* fileName, FILE* xmfFile, char* name, enu
   h_err = H5Sset_extent_simple(h_space, rank, shape, NULL);
   if(h_err < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while changing data space shape for field '%s'\n", name);
-      error(buf);      
+      error( "Error while changing data space shape for field '%s'." , name );
     }
   
   /* Create dataset */
   h_data = H5Dcreate1(grp, name, hdf5Type(type), h_space, H5P_DEFAULT);
   if(h_data < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while creating dataspace '%s'\n", name);
-      error(buf);
+      error( "Error while creating dataspace '%s'." , name );
     }
   
   /* Write temporary buffer to HDF5 dataspace */
   h_err = H5Dwrite(h_data, hdf5Type(type), h_space, H5S_ALL, H5P_DEFAULT, temp);
   if(h_err < 0)
     {
-      char buf[100];
-      sprintf(buf, "Error while reading data array '%s'\n", name);
-      error(buf);
+      error( "Error while reading data array '%s'." , name );
     }
 
   /* Write XMF description for this data set */
@@ -689,17 +655,15 @@ void write_output (struct engine *e)
 
 
   /* Open file */
-  /* printf("write_output: Opening file '%s'.\n", fileName); */
+  /* message("Opening file '%s'.", fileName); */
   h_file = H5Fcreate(fileName, H5F_ACC_TRUNC, H5P_DEFAULT,H5P_DEFAULT);
   if(h_file < 0)
     {
-      char buf[200];
-      sprintf(buf, "Error while opening file '%s'", fileName);
-      error(buf);
+      error( "Error while opening file '%s'." , fileName );
     }
 
   /* Open header to read simulation properties */
-  /* printf("write_output: Writing runtime parameters...\n"); */
+  /* message("Writing runtime parameters..."); */
   h_grp = H5Gcreate1(h_file, "/RuntimePars", 0);
   if(h_grp < 0)
     error("Error while creating runtime parameters group\n");
@@ -711,7 +675,7 @@ void write_output (struct engine *e)