int64_t step, step_rel;
double t, t0 = ir->init_t, lam0[efptNR];
gmx_bool bGStatEveryStep, bGStat, bCalcVir, bCalcEnerStep, bCalcEner;
- gmx_bool bNS, bNStList, bStopCM, bFirstStep, bInitStep, bLastStep = FALSE;
+ gmx_bool bNS = FALSE, bNStList, bStopCM, bFirstStep, bInitStep, bLastStep = FALSE;
gmx_bool bDoDHDL = FALSE, bDoFEP = FALSE, bDoExpanded = FALSE;
gmx_bool do_ene, do_log, do_verbose;
gmx_bool bMasterState;
bExchanged = FALSE;
bNeedRepartition = FALSE;
+ step = ir->init_step;
+ step_rel = 0;
+
auto stopHandler = stopHandlerBuilder->getStopHandlerMD(
compat::not_null<SimulationSignal*>(&signals[eglsSTOPCOND]), simulationsShareState,
MASTER(cr), ir->nstlist, mdrunOptions.reproducible, nstSignalComm,
const DDBalanceRegionHandler ddBalanceRegionHandler(cr);
- step = ir->init_step;
- step_rel = 0;
-
if (MASTER(cr) && isMultiSim(ms) && !useReplicaExchange)
{
logInitialMultisimStatus(ms, cr, mdlog, simulationsShareState, ir->nsteps, ir->init_step);