diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 0230084490..61629aa30d 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -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."); + } /* ----------------------------------------------------------------------