From: Berk Hess <hess@kth.se>
Date: Mon, 9 Mar 2015 16:27:34 +0000 (+0100)
Subject: Added update x copy-back to update timer
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=811757462b8b51b084d48cc4b88187163004e3ca;p=alexxy%2Fgromacs.git

Added update x copy-back to update timer

Change-Id: I0f5c17722512e21bbb3cbddd022b1a8769b08595
---

diff --git a/src/gromacs/mdlib/update.cpp b/src/gromacs/mdlib/update.cpp
index d5d18d2ab4..140c2e3d37 100644
--- a/src/gromacs/mdlib/update.cpp
+++ b/src/gromacs/mdlib/update.cpp
@@ -1721,6 +1721,13 @@ void update_constraints(FILE             *fplog,
 
     if (!(bFirstHalf)) /* in the first half of vv, no shift. */
     {
+        /* NOTE This part of the update actually does not belong with
+         * the constraints, since we also call it without constraints.
+         * But currently we always integrate to a temporary buffer and
+         * then copy the results back here.
+         */
+        wallcycle_start_nocount(wcycle, ewcUPDATE);
+
         if (graph && (graph->nnodes > 0))
         {
             unshift_x(graph, state->box, state->x, upd->xp);
@@ -1745,6 +1752,7 @@ void update_constraints(FILE             *fplog,
                 copy_rvec(upd->xp[i], state->x[i]);
             }
         }
+        wallcycle_stop(wcycle, ewcUPDATE);
 
         dump_it_all(fplog, "After unshift",
                     state->natoms, state->x, upd->xp, state->v, force);