X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fcluster.f90;fp=source%2Fcluster%2Fcluster.f90;h=3b75b28cb11ba48ee5e898dfbfe60b43bce7e558;hb=5caab5415c9f7622a0d0085135a520b49f5cd4fd;hp=1b6767c52afb07f453b3d9d2909a6f68e84c85de;hpb=3d82fd4865ef986a636dcb144357cc095a20ffbc;p=unres4.git diff --git a/source/cluster/cluster.f90 b/source/cluster/cluster.f90 index 1b6767c..3b75b28 100644 --- a/source/cluster/cluster.f90 +++ b/source/cluster/cluster.f90 @@ -14,7 +14,7 @@ c,cref use energy_data, only: nnt,nct use control_data, only: symetr,outpdb,outmol2,titel,& - iopt,print_dist,MaxProcs + iopt,print_dist !,MaxProcs use control, only: tcpu,initialize use wham_data, only: punch_dist @@ -79,13 +79,14 @@ call mpi_finalize(ierror) stop endif - if (nprocs.gt.MaxProcs+1) then - write (2,*) "Error - too many processors",& - nprocs,MaxProcs+1 - write (2,*) "Increase MaxProcs and recompile" - call MPI_Finalize(IERROR) - stop - endif +!EL /04/2017 No longer needed, dynamic allocation of arrays +! if (nprocs.gt.MaxProcs+1) then +! write (2,*) "Error - too many processors",& +! nprocs,MaxProcs+1 +! write (2,*) "Increase MaxProcs and recompile" +! call MPI_Finalize(IERROR) +! stop +! endif #endif !elwrite(iout,*) "before parmread" allocate(printang(max_cut))