X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA%2Funres_csa.F;h=f229a9a31ea7207002a2db4cc6e62d3d87e25ff6;hb=a5652e153da21045c097c4162cbeefc593c46713;hp=51d6bca1f6a0fc3f77684523e15233305efdd161;hpb=fef6575ec13df09d65b0b1ac7d7ca23ba4c57082;p=unres.git diff --git a/source/unres/src_CSA/unres_csa.F b/source/unres/src_CSA/unres_csa.F index 51d6bca..f229a9a 100644 --- a/source/unres/src_CSA/unres_csa.F +++ b/source/unres/src_CSA/unres_csa.F @@ -441,7 +441,8 @@ c print *,'result received from worker ',man,' sending now' iconf=ind(2) write (iout,*) write (iout,*) - write (iout,*) 'Conformation #',iconf,ind(5) + write (iout,*) 'Conformation #',iconf," sumsl return code ", + & ind(5) etot=energy(0) call enerprint(energy(0)) @@ -459,14 +460,14 @@ c print *,'result received from worker ',man,' sending now' imm=imm-1 if (read_cart) then - read (intin,'(e15.10,e15.5)',end=1101,err=1101) time,ene + read (intin,'(e15.10,e15.5)',end=11,err=11) time,ene call read_x(intin,*11) c Broadcast the order to compute internal coordinates to the slaves. if (nfgtasks.gt.1) & call MPI_Bcast(6,1,MPI_INTEGER,king,FG_COMM,IERROR) call int_from_cart1(.false.) else - read (intin,'(i5)',end=1101,err=1101) iconf + read (intin,'(i5)',end=11,err=11) iconf call read_angles(intin,*11) call geom_to_var(nvar,varia) call chainbuild @@ -510,7 +511,8 @@ c Broadcast the order to compute internal coordinates to the slaves. iconf=ind(2) write (iout,*) write (iout,*) - write (iout,*) 'Conformation #',iconf,ind(5) + write (iout,*) 'Conformation #',iconf," sumsl return code ", + & ind(5) etot=energy(0) call enerprint(energy(0))