change to RCB cuts in load-balancing commands, also a new option for fix halt

This commit is contained in:
Steve Plimpton
2017-03-10 15:55:07 -07:00
parent 470353e320
commit f871ecdc67
15 changed files with 686 additions and 51 deletions

View File

@ -55,7 +55,8 @@ using namespace MathConst;
// customize a new keyword by adding to this list:
// step, elapsed, elaplong, dt, time, cpu, tpcpu, spcpu, cpuremain, part, timeremain
// step, elapsed, elaplong, dt, time, cpu, tpcpu, spcpu, cpuremain,
// part, timeremain
// atoms, temp, press, pe, ke, etotal, enthalpy
// evdwl, ecoul, epair, ebond, eangle, edihed, eimp, emol, elong, etail
// vol, density, lx, ly, lz, xlo, xhi, ylo, yhi, zlo, zhi, xy, xz, yz,
@ -394,6 +395,11 @@ void Thermo::compute(int flag)
if (flushflag) fflush(logfile);
}
}
// set to 1, so that subsequent invocations of CPU time will be non-zero
// e.g. via variables in print command
firststep = 1;
}
/* ----------------------------------------------------------------------