Loading src/MC/fix_gcmc.cpp +6 −0 Original line number Diff line number Diff line Loading @@ -714,6 +714,12 @@ void FixGCMC::init() } } // Current implementation is broken using // full_flag on molecules on more than one processor. // Print error if this is the current mode if (full_flag && (exchmode == EXCHMOL || movemode == MOVEMOL) && comm->nprocs > 1) error->all(FLERR,"fix gcmc does currently not support full_energy option with molecules on more than 1 MPI process."); } /* ---------------------------------------------------------------------- Loading Loading
src/MC/fix_gcmc.cpp +6 −0 Original line number Diff line number Diff line Loading @@ -714,6 +714,12 @@ void FixGCMC::init() } } // Current implementation is broken using // full_flag on molecules on more than one processor. // Print error if this is the current mode if (full_flag && (exchmode == EXCHMOL || movemode == MOVEMOL) && comm->nprocs > 1) error->all(FLERR,"fix gcmc does currently not support full_energy option with molecules on more than 1 MPI process."); } /* ---------------------------------------------------------------------- Loading
