Index: source/energy/energy.src =================================================================== --- source/energy/energy.src (revision 603) +++ source/energy/energy.src (revision 604) @@ -460,6 +460,13 @@ call timer_start(T_energy) call timer_start( T_inte) +#if KEY_DMCONS==1 + ! these must be initialized or test first + ! returns bad first derivatives in parallel runs + dmc_ener(1:ndmc) = zero + dmc_rho(1:ndmc) = zero +#endif + if(.not. allocated(ccnba))then if (prnlev >= 2) write(outu,*)"ENERGY CCNBA not allocated" !