gmx_fatal(FARGS, "The .mdp file specified an energy mininization or normal mode algorithm, and these are not compatible with mdrun -rerun");
}
- if (can_use_allvsall(inputrec, TRUE, cr, fplog) && DOMAINDECOMP(cr))
- {
- gmx_fatal(FARGS, "All-vs-all loops do not work with domain decomposition, use a single MPI rank");
- }
-
if (!(EEL_PME(inputrec->coulombtype) || EVDW_PME(inputrec->vdwtype)))
{
if (domdecOptions.numPmeRanks > 0)