From a4460dbd6add5ba0180e21b1aa9deaf6c2a6b251 Mon Sep 17 00:00:00 2001
From: =?utf8?q?Szil=C3=A1rd=20P=C3=A1ll?= <pall.szilard@gmail.com>
Date: Tue, 16 Apr 2019 00:23:18 +0200
Subject: [PATCH] Remove "coarse load balancing vars" from forcerec

Legacy timing code dropped during cleanup.

Change-Id: I4a3d0f69d926973c6269df15eea8b448539c54d4
---
 src/gromacs/mdlib/force.cpp    | 47 +-----------------------------------------
 src/gromacs/mdlib/forcerec.cpp |  5 -----
 src/gromacs/mdtypes/forcerec.h |  5 -----
 3 files changed, 1 insertion(+), 56 deletions(-)

diff --git a/src/gromacs/mdlib/force.cpp b/src/gromacs/mdlib/force.cpp
index a9e3486df7..fbd645067f 100644
--- a/src/gromacs/mdlib/force.cpp
+++ b/src/gromacs/mdlib/force.cpp
@@ -38,8 +38,6 @@
 
 #include "force.h"
 
-#include "config.h"
-
 #include <cassert>
 #include <cmath>
 #include <cstring>
@@ -71,7 +69,6 @@
 #include "gromacs/pbcutil/mshift.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/timing/wallcycle.h"
-#include "gromacs/utility/cstringutil.h"
 #include "gromacs/utility/exceptions.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/smalloc.h"
@@ -123,10 +120,6 @@ void do_force_lowlevel(t_forcerec                   *fr,
                        int                           flags,
                        const DDBalanceRegionHandler &ddBalanceRegionHandler)
 {
-#if GMX_MPI
-    double  t0 = 0.0, t1, t2, t3; /* time measurement for coarse load balancing */
-#endif
-
     /* do QMMM first if requested */
     if (fr->bQMMM)
     {
@@ -135,16 +128,6 @@ void do_force_lowlevel(t_forcerec                   *fr,
 
     /* Call the short range functions all in one go. */
 
-#if GMX_MPI
-    /*#define TAKETIME ((cr->npmenodes) && (fr->timesteps < 12))*/
-#define TAKETIME FALSE
-    if (TAKETIME)
-    {
-        MPI_Barrier(cr->mpi_comm_mygroup);
-        t0 = MPI_Wtime();
-    }
-#endif
-
     if (ir->nwall)
     {
         /* foreign lambda component for walls */
@@ -154,14 +137,6 @@ void do_force_lowlevel(t_forcerec                   *fr,
         enerd->dvdl_lin[efptVDW] += dvdl_walls;
     }
 
-#if GMX_MPI
-    if (TAKETIME)
-    {
-        t1          = MPI_Wtime();
-        fr->t_fnbf += t1-t0;
-    }
-#endif
-
     /* Shift the coordinates. Must be done before listed forces and PPPM,
      * but is also necessary for SHAKE and update, therefore it can NOT
      * go when no listed forces have to be evaluated.
@@ -192,8 +167,7 @@ void do_force_lowlevel(t_forcerec                   *fr,
     {
         t_pbc      pbc;
 
-        /* Check whether we need to take into account PBC in the following force tasks:
-         * listed interactions. */
+        /* Check whether we need to take into account PBC in listed interactions. */
         const auto needPbcForListedForces = fr->bMolPBC && bool(flags & GMX_FORCE_LISTED) && haveCpuListedForces(*fr, *idef, *fcd);
         if (needPbcForListedForces)
         {
@@ -418,25 +392,6 @@ void do_force_lowlevel(t_forcerec                   *fr,
         print_nrnb(debug, nrnb);
     }
 
-#if GMX_MPI
-    if (TAKETIME)
-    {
-        t2 = MPI_Wtime();
-        MPI_Barrier(cr->mpi_comm_mygroup);
-        t3          = MPI_Wtime();
-        fr->t_wait += t3-t2;
-        if (fr->timesteps == 11)
-        {
-            char buf[22];
-            fprintf(stderr, "* PP load balancing info: rank %d, step %s, rel wait time=%3.0f%% , load string value: %7.2f\n",
-                    cr->nodeid, gmx_step_str(fr->timesteps, buf),
-                    100*fr->t_wait/(fr->t_wait+fr->t_fnbf),
-                    (fr->t_fnbf+fr->t_wait)/fr->t_fnbf);
-        }
-        fr->timesteps++;
-    }
-#endif
-
     if (debug)
     {
         pr_rvecs(debug, 0, "fshift after bondeds", fr->fshift, SHIFTS);
diff --git a/src/gromacs/mdlib/forcerec.cpp b/src/gromacs/mdlib/forcerec.cpp
index 4403dbd939..4187102a14 100644
--- a/src/gromacs/mdlib/forcerec.cpp
+++ b/src/gromacs/mdlib/forcerec.cpp
@@ -2327,11 +2327,6 @@ void init_forcerec(FILE                             *fp,
     fr->print_force = print_force;
 
 
-    /* coarse load balancing vars */
-    fr->t_fnbf    = 0.;
-    fr->t_wait    = 0.;
-    fr->timesteps = 0;
-
     /* Initialize neighbor search */
     snew(fr->ns, 1);
     init_ns(fp, cr, fr->ns, fr, mtop);
diff --git a/src/gromacs/mdtypes/forcerec.h b/src/gromacs/mdtypes/forcerec.h
index 2d3e5498b1..2c105186fa 100644
--- a/src/gromacs/mdtypes/forcerec.h
+++ b/src/gromacs/mdtypes/forcerec.h
@@ -299,11 +299,6 @@ struct t_forcerec { // NOLINT (clang-analyzer-optin.performance.Padding)
     /* Limit for printing large forces, negative is don't print */
     real print_force = 0;
 
-    /* coarse load balancing time measurement */
-    double t_fnbf    = 0;
-    double t_wait    = 0;
-    int    timesteps = 0;
-
     /* User determined parameters, copied from the inputrec */
     int  userint1  = 0;
     int  userint2  = 0;
-- 
2.11.4.GIT