Unverified Commit 4011f665 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

first step of adding timeout support to temper commands

parent 0fa9cd50

src/REPLICA/temper.cpp

+4 −0
Original line number Diff line number Diff line
@@ -71,6 +71,10 @@ void Temper::command(int narg, char **arg) 
  nevery = force->inumeric(FLERR,arg[1]);

  double temp = force->numeric(FLERR,arg[2]);



  // ignore temper command, if walltime limit was already reached



  if (timer->is_timeout()) return;



  for (whichfix = 0; whichfix < modify->nfix; whichfix++)

    if (strcmp(arg[3],modify->fix[whichfix]->id) == 0) break;

  if (whichfix == modify->nfix)

src/USER-MISC/temper_grem.cpp

+3 −0
Original line number Diff line number Diff line
@@ -71,6 +71,9 @@ void TemperGrem::command(int narg, char **arg) 
  nevery = force->inumeric(FLERR,arg[1]);

  double lambda = force->numeric(FLERR,arg[2]);



  // ignore temper command, if walltime limit was already reached

  if (timer->is_timeout()) return;



  // Get and check if gREM fix exists

  for (whichfix = 0; whichfix < modify->nfix; whichfix++)

    if (strcmp(arg[3],modify->fix[whichfix]->id) == 0) break;

src/USER-MISC/temper_npt.cpp

+4 −0
Original line number Diff line number Diff line
@@ -74,6 +74,10 @@ void TemperNPT::command(int narg, char **arg) 
  double temp = force->numeric(FLERR,arg[2]);

  double press_set = force->numeric(FLERR,arg[6]);



  // ignore temper command, if walltime limit was already reached



  if (timer->is_timeout()) return;



  for (whichfix = 0; whichfix < modify->nfix; whichfix++)

    if (strcmp(arg[3],modify->fix[whichfix]->id) == 0) break;

  if (whichfix == modify->nfix)

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