git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8228 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/input.cpp

@@ -507,7 +507,7 @@ int Input::execute_command()
 #define COMMAND_CLASS
 #define CommandStyle(key,Class)         \
   else if (strcmp(command,#key) == 0) { \
-    Class key(lmp);                        \
+    Class key(lmp);                     \
     key.command(narg,arg);              \
     return 0;                           \
   }

src/min.cpp

@@ -278,7 +278,7 @@ void Min::setup()
       requestor[m]->min_xf_get(m);
 
   modify->setup(vflag);
-  output->setup(1);
+  output->setup(1,1);
 
   // stats for Finish to print
 

src/output.cpp

@@ -161,9 +161,11 @@ void Output::init()
    perform output for setup of run/min
    do dump first, so memory_usage will include dump allocation
    do thermo last, so will print after memory_usage
+   headflag = 0/1 for printing out header line
+   memflag = 0/1 for printing out memory usage
 ------------------------------------------------------------------------- */
 
-void Output::setup(int flag)
+void Output::setup(int headflag, int memflag)
 {
   bigint ntimestep = update->ntimestep;
 
@@ -245,16 +247,16 @@ void Output::setup(int flag)
 
   // print memory usage unless being called between multiple runs
 
-  if (flag) memory_usage();
+  if (memflag) memory_usage();
 
-  // always do thermo with header at start of run
+  // always do thermo with header at start of run unless called via rerun
   // set next_thermo to multiple of every or last step of run (if smaller)
   // if every = 0, set next_thermo to last step of run
   // thermo may invoke computes so wrap with clear/add
 
   modify->clearstep_compute();
 
-  thermo->header();
+  if (headflag) thermo->header();
   thermo->compute(0);
   last_thermo = ntimestep;
 

src/output.h

@@ -60,7 +60,7 @@ class Output : protected Pointers {
   Output(class LAMMPS *);
   ~Output();
   void init();
-  void setup(int);                   // initial output before run/min
+  void setup(int,int);               // initial output before run/min
   void write(bigint);                // output for current timestep
   void write_dump(bigint);           // force output of dump snapshots
   void write_restart(bigint);        // force output of a restart file

src/read_dump.cpp

@@ -456,7 +456,8 @@ void ReadDump::atoms()
 
     domain->set_initial_box();
     domain->set_global_box();
-    comm->set_proc_grid();
+    // would be OK to do this, except it prints out info
+    //comm->set_proc_grid();
     domain->set_local_box();
   }
 

src/respa.cpp

@@ -379,7 +379,7 @@ void Respa::setup()
 
   modify->setup(vflag);
   sum_flevel_f();
-  output->setup(1);
+  output->setup(1,1);
   update->setupflag = 0;
 }
 

src/run.cpp

@@ -167,7 +167,7 @@ void Run::command(int narg, char **arg)
     if (preflag || update->first_update == 0) {
       lmp->init();
       update->integrate->setup();
-    } else output->setup(0);
+    } else output->setup(1,0);
 
     timer->init();
     timer->barrier_start(TIME_LOOP);
@@ -205,7 +205,7 @@ void Run::command(int narg, char **arg)
       if (preflag || iter == 0) {
         lmp->init();
         update->integrate->setup();
-      } else output->setup(0);
+      } else output->setup(1,0);
 
       timer->init();
       timer->barrier_start(TIME_LOOP);

src/verlet.cpp

@@ -139,7 +139,7 @@ void Verlet::setup()
   if (force->newton) comm->reverse_comm();
 
   modify->setup(vflag);
-  output->setup(1);
+  output->setup(1,1);
   update->setupflag = 0;
 }