* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
/* This file is completely threadsafe - please keep it that way! */
+#include "gromacs/legacyheaders/txtdump.h"
+
#include <stdio.h>
-#include "typedefs.h"
-#include "types/commrec.h"
-#include "names.h"
-#include "txtdump.h"
-#include "vec.h"
-#include "macros.h"
-
-#include "gmx_fatal.h"
+#include <stdlib.h>
+
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/smalloc.h"
int pr_indent(FILE *fp, int n)
}
}
PI("calc-lambda-neighbors", fep->lambda_neighbors);
- PS("dhdl-print-energy", EBOOL(fep->bPrintEnergy));
+ PS("dhdl-print-energy", edHdLPrintEnergy_names[fep->edHdLPrintEnergy]);
PR("sc-alpha", fep->sc_alpha);
PI("sc-power", fep->sc_power);
PR("sc-r-power", fep->sc_r_power);
for (i = 0; i <= block->nr; i++)
{
(void) pr_indent(fp, indent+INDENT);
- (void) fprintf(fp, "%s->index[%d]=%u\n",
+ (void) fprintf(fp, "%s->index[%d]=%d\n",
title, bShowNumbers ? i : -1, block->index[i]);
}
for (i = 0; i < block->nra; i++)
{
(void) pr_indent(fp, indent+INDENT);
- (void) fprintf(fp, "%s->a[%d]=%u\n",
+ (void) fprintf(fp, "%s->a[%d]=%d\n",
title, bShowNumbers ? i : -1, block->a[i]);
}
}
(void) fprintf(fp, "\n");
size = pr_indent(fp, indent+INDENT);
}
- size += fprintf(fp, "%u", block->a[j]);
+ size += fprintf(fp, "%d", block->a[j]);
}
(void) fprintf(fp, "}\n");
start = end;
fprintf(fp, "commrec:\n");
indent += 2;
pr_indent(fp, indent);
- fprintf(fp, "nodeid = %d\n", cr->nodeid);
+ fprintf(fp, "rank = %d\n", cr->nodeid);
pr_indent(fp, indent);
- fprintf(fp, "nnodes = %d\n", cr->nnodes);
+ fprintf(fp, "number of ranks = %d\n", cr->nnodes);
pr_indent(fp, indent);
- fprintf(fp, "npmenodes = %d\n", cr->npmenodes);
+ fprintf(fp, "PME-only ranks = %d\n", cr->npmenodes);
/*
pr_indent(fp,indent);
fprintf(fp,"threadid = %d\n",cr->threadid);