X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA%2Funres_csa.F;h=ce55133fd77ed2d1cd6f026a933681aa8203ea8c;hb=951f0fe4ce7a66542c398754524d8ae3d9b5dc5a;hp=00f9e1972eb33456f9395781e64247a508a59611;hpb=75b3ea58d504a01718b1cf658c0bbf81bbd36445;p=unres.git diff --git a/source/unres/src_CSA/unres_csa.F b/source/unres/src_CSA/unres_csa.F index 00f9e19..ce55133 100644 --- a/source/unres/src_CSA/unres_csa.F +++ b/source/unres/src_CSA/unres_csa.F @@ -443,7 +443,8 @@ 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)) @@ -461,14 +462,14 @@ 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 @@ -512,7 +513,8 @@ 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))