Made mdrun warn when generic kernels are used

[alexxy/gromacs.git] / src / gromacs / gmxlib / nrnb.c

diff --git a/src/gromacs/gmxlib/nrnb.c b/src/gromacs/gmxlib/nrnb.c
index d0d118d8d93297a9a932ae62f8e498b8b6b56c1c..2fc17779590a6a28ad22ce86429eae99e3a50348 100644 (file)
--- a/src/gromacs/gmxlib/nrnb.c
+++ b/src/gromacs/gmxlib/nrnb.c
@@ -425,6 +425,15 @@ void print_flop(FILE *out, t_nrnb *nrnb, double *nbfs, double *mflop)
         fprintf(out, " %-32s %16s %15.3f  %6.1f\n",
                 "Total", "", *mflop, tfrac);
         fprintf(out, "%s\n\n", myline);
+
+        if (nrnb->n[eNR_NBKERNEL_GENERIC] > 0)
+        {
+            fprintf(out,
+                    "WARNING: Using the slow generic C kernel. This is fine if you are\n"
+                    "comparing different implementations or MD software. Routine\n"
+                    "simulations should use a different non-bonded setup for much better\n"
+                    "performance.\n\n");
+        }
     }
 }