final changes to fix halt

src/fix_halt.cpp

@@ -162,8 +162,7 @@ void FixHalt::end_of_step()
   }
 
   // hard halt -> exit LAMMPS
-  // soft halt -> trigger timer to break from run loop
-  // continue halt -> trigger time to exit only this run loop
+  // soft/continue halt -> trigger timer to break from run loop
   // print message with ID of fix halt in case multiple instances
 
   char str[128];
@@ -183,6 +182,8 @@ void FixHalt::end_of_step()
 
 void FixHalt::post_run()
 {
+  // continue halt -> subsequent runs are allowd
+
   if (eflag == CONTINUE) timer->reset_timeout();
 }
 

src/timer.cpp

@@ -95,10 +95,10 @@ Timer::Timer(LAMMPS *lmp) : Pointers(lmp)
 {
   _level = NORMAL;
   _sync  = OFF;
-  _timeout = -1;
-  _s_timeout = -1;
+  _timeout = -1.0;
   _checkfreq = 10;
   _nextcheck = -1;
+  _laststep = -1;
   this->_stamp(RESET);
 }
 
@@ -216,7 +216,7 @@ void Timer::set_wall(enum ttype which, double newtime)
 
 void Timer::init_timeout()
 {
-  _s_timeout = _timeout;
+  _laststep = -1;
   if (_timeout < 0)
     _nextcheck = -1;
   else
@@ -249,6 +249,14 @@ void Timer::print_timeout(FILE *fp)
 
 /* ---------------------------------------------------------------------- */
 
+void Timer::force_timeout()
+{
+  _timeout = 0.0;
+  _nextcheck = _laststep + 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
 bool Timer::_check_timeout()
 {
   double walltime = MPI_Wtime() - timeout_start;

src/timer.h

@@ -64,10 +64,7 @@ class Timer : protected Pointers {
   void init_timeout();
 
   // trigger enforced timeout
-  void force_timeout() { _timeout = 0.0; }
-
-  // restore original timeout setting after enforce timeout
-  void reset_timeout() { _timeout = _s_timeout; }
+  void force_timeout();
 
   // get remaining time in seconds. 0.0 if inactive, negative if expired
   double get_timeout_remain();
@@ -78,7 +75,7 @@ class Timer : protected Pointers {
   // check for timeout. inline wrapper around internal
   // function to reduce overhead in case there is no check.
   bool check_timeout(int step) {
-    if (_timeout == 0.0) return true;
+    _laststep = step;
     if (_nextcheck != step) return false;
     else return _check_timeout();
   }
@@ -94,9 +91,9 @@ class Timer : protected Pointers {
   int _level;     // level of detail: off=0,loop=1,normal=2,full=3
   int _sync;      // if nonzero, synchronize tasks before setting the timer
   int _timeout;   // max allowed wall time in seconds. infinity if negative
-  int _s_timeout; // copy of timeout for restoring after a forced timeout
   int _checkfreq; // frequency of timeout checking
   int _nextcheck; // loop number of next timeout check
+  int _laststep;  // loop number of last iteration
 
   // update one specific timer array
   void _stamp(enum ttype);