Merge branch 'feature/malloc' of github.com:GlobalArrays/ga into feat…

…ure/malloc Conflicts: global/src/DP.c global/src/ga_solve_seq.c global/src/ga_symmetr.c global/src/ghosts.c global/src/global.nalg.c global/src/global.npatch.c global/src/matmul.c global/src/onesided.c global/src/sparse.c
GlobalArrays · Sep 11, 2024 · 339b4f1 · 339b4f1
2 parents 57c39e8 + 1400983
commit 339b4f1
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Showing 5 changed files with 17 additions and 19 deletions.
diff --git a/global/examples/lennard-jones/lennard.c b/global/examples/lennard-jones/lennard.c
@@ -122,10 +122,7 @@ void LJ_Setup(int natoms, double **x_i, double **x_j, double **grad) {
   i = gBlockSize * NDIM * 2; /* for gX_i and gX_j used in computeFG() */
   j = natoms * NDIM;         /* for gGrad in computeFG() */
   n = i + j + SAFELIMIT;                 /* total memory required */
-  if(MA_push_get(C_DBL, n, "GA LJ bufs", (void *)&gMemHandle, &maindex))
-    MA_get_pointer(gMemHandle, x_i);
-  else GA_Error("ma_alloc_get failed",n);
-
+  *x_i = (double *) malloc(sizeof(double) * n);
   *x_j  = *x_i + i/2 + 1;
   *grad = *x_j + i/2 + 1;
 }
@@ -395,8 +392,8 @@ void LJ_Initialize(int natoms) {
     printf("    System Volume            =   %f\n\n\n", pow(L, 3.0));
   }
 #endif
-
-  if(gMe == 0) {
+  GA_Sync();
+  //  if(gMe == 0) {
 
     int c, i, j, k, m, n, p;
     double b, xSum[3] = {0.0, 0.0, 0.0};
@@ -408,9 +405,7 @@ void LJ_Initialize(int natoms) {
     MA_AccessIndex maindex;
 
     n = NDIM * natoms + 1;
-    if(MA_push_get(C_DBL, n, "GA LJ_Init bufs", (void *)&handle, &maindex))
-      MA_get_pointer(handle, &x);
-    else GA_Error("ma_alloc_get failed",n);
+    x = (double *) malloc(sizeof(double) * n);
 
     /* Use face centered cubic (FCC) lattice for initial positions.
        Find number of unit cells (c) needed to place all atoms */
@@ -438,7 +433,7 @@ void LJ_Initialize(int natoms) {
 
     lo = 0;
     hi = natoms*NDIM-1; 
-    NGA_Put (g_X, &lo, &hi, x, &hi);
+    if(gMe == 0) NGA_Put (g_X, &lo, &hi, x, &hi);
 
     /* Random Gaussian distribution of initial velocities */ 
     for(i=0; i<natoms; i++) 
@@ -450,11 +445,10 @@ void LJ_Initialize(int natoms) {
       for(j=0; j<NDIM; j++) 
     x[i*NDIM + j] -= xSum[j]/natoms;
 
-    NGA_Put (g_V, &lo, &hi, x, &hi); /* velocity array */
-
-    if(!MA_pop_stack(handle)) GA_Error("LJ_Init:MA_pop_stack failed",0);  
-  }
-
+      if(gMe == 0) NGA_Put (g_V, &lo, &hi, x, &hi); /* velocity array */
+      free(x);
+    //  }
+  GA_Sync();
   /* rescale to desired temperature */
   rescaleVelocities(natoms);
 
@@ -705,7 +699,7 @@ void LJ_Solve(int natoms) {
        100*(execTime-gComputeTime)/execTime);
   }
 #endif
-  if(!MA_pop_stack(gMemHandle)) GA_Error("LJ_Init:MA_pop_stack failed",0); 
+  free(x_i);
 }
 
 

diff --git a/global/src/DP.c b/global/src/DP.c
@@ -2,7 +2,9 @@
 #   include "config.h"
 #endif
 
+#if HAVE_STDLIB_H
 #include <stdlib.h>
+#endif
 
 /* $Id: DP.c,v 1.14 2003-02-18 00:24:32 manoj Exp $ */
 #include "global.h"

diff --git a/global/src/base.c b/global/src/base.c
@@ -725,14 +725,14 @@ C_Integer *map= (map_ij);\
 \
     candidate = (int)(scale*(elem));\
     found = 0;\
-    if(map[candidate] <= (elem)){ /* search downward */\
+    if(map[candidate] <= (elem)){ /* search upward */\
          b= candidate;\
          while(b<(n)-1){ \
             found = (map[b+1]>(elem));\
             if(found)break;\
             b++;\
          } \
-    }else{ /* search upward */\
+    }else{ /* search downward */\
          b= candidate-1;\
          while(b>=0){\
             found = (map[b]<=(elem));\

diff --git a/global/src/ga_symmetr.c b/global/src/ga_symmetr.c
@@ -2,7 +2,9 @@
 #   include "config.h"
 #endif
 
+#if HAVE_STDLIB_H
 #include <stdlib.h>
+#endif
 
 /**
  * Symmetrizes matrix A:  A := .5 * (A+A`)

diff --git a/global/src/matmul.c b/global/src/matmul.c
@@ -1495,7 +1495,7 @@ void pnga_matmul(transa, transb, alpha, beta,
 
 	  if(tmp == NULL) { /*if armci malloc fails again, then get from MA */
 	     tmp = a_ar[0] = a =(DoubleComplex*) pnga_malloc(elems,atype,
-							   "GA mulmat bufs");
+                                                      "GA mulmat bufs");
 	  }
 
 	  if(use_NB_matmul) tmp = a_ar[1] = a_ar[0] + (Ichunk*Kchunk)/factor+1;