--- bigdft-1.2.0.1.old/src/sumrho.f90 2009-07-01 10:49:36.252793679 +0200 +++ bigdft-1.2.0.1.new/src/sumrho.f90 2009-07-01 10:50:08.693028765 +0200 @@ -92,9 +92,12 @@ MPI_DOUBLE_PRECISION,MPI_SUM,MPI_COMM_WORLD,ierr) end do else - call MPI_ALLREDUCE(MPI_IN_PLACE,rho_p,lr%d%n1i*lr%d%n2i*lr%d%n3i*nspin,& - MPI_DOUBLE_PRECISION,MPI_SUM,MPI_COMM_WORLD,ierr) - !stop 'rsflag active in sumrho.f90, check MPI2 implementation' +#ifdef MPI2 + call MPI_ALLREDUCE(MPI_IN_PLACE,rho_p,lr%d%n1i*lr%d%n2i*lr%d%n3i*nspin,& + MPI_DOUBLE_PRECISION,MPI_SUM,MPI_COMM_WORLD,ierr) +#else + stop 'rsflag active in sumrho.f90, check MPI2 implementation' +#endif end if call timing(iproc,'Rho_commun ','OF') call timing(iproc,'Rho_comput ','ON')