#ifdef MPI
c write(iout,*) "ETOTAL_LONG Processor",fg_rank,
c & " absolute rank",myrank," nfgtasks",nfgtasks
- call flush(iout)
+c call flush(iout)
if (nfgtasks.gt.1) then
time00=MPI_Wtime()
C FG slaves call the following matching MPI_Bcast in ERGASTULUM
C
C Compute the side-chain and electrostatic interaction energy
C
+c write (iout,*) "Computing SC"
+c call flush(iout)
goto (101,102,103,104,105,106) ipot
C Lennard-Jones potential.
101 call elj_short(evdw)
c
c Calculate the short-range part of Evdwpp
c
+c write (iout,*) "SC_short computed OK"
+c call flush(iout)
call evdwpp_short(evdw1)
+c write (iout,*) "VDWPP_short computed OK"
+c call flush(iout)
c
c Calculate the short-range part of ESCp
c
if (ipot.lt.6) then
call escp_short(evdw2,evdw2_14)
+c write (iout,*) "SCP_short computed OK"
+c call flush(iout)
endif
c
c Calculate the bond-stretching energy
c
call ebond(estr)
+c write (iout,*) "ebond_short computed OK"
+c call flush(iout)
C
C Calculate the disulfide-bridge and other energy and the contributions
C from other distance constraints.
call edis(ehpb)
+c write (iout,*) "ehpb_short computed OK"
+c call flush(iout)
C
C Calculate the virtual-bond-angle energy.
C
- call ebend(ebe)
+ ethetacnstr=0.0d0
+ call ebend(ebe,ethetacnstr)
+c write (iout,*) "ebe_short computed OK"
+c call flush(iout)
C
C Calculate the SC local energy.
C
call vec_and_deriv
+c write (iout,*) "vec_and_dervi_short computed OK"
+c call flush(iout)
call esc(escloc)
+c write (iout,*) "SCLOCAL_short computed OK"
+c call flush(iout)
C
C Calculate the virtual-bond torsional energy.
C
call etor(etors,edihcnstr)
+c write (iout,*) "TOR_short computed OK"
+c call flush(iout)
C
C 6/23/01 Calculate double-torsional energy
C
call etor_d(etors_d)
+c write (iout,*) "DTOR_short computed OK"
+c call flush(iout)
C
C 21/5/07 Calculate local sicdechain correlation energy
C
if (wsccor.gt.0.0d0) then
call eback_sc_corr(esccor)
+c write (iout,*) "SCCORR_short computed OK"
+c call flush(iout)
else
esccor=0.0d0
endif
energia(19)=edihcnstr
energia(21)=esccor
c write (iout,*) "ETOTAL_SHORT before SUM_ENERGY"
- call flush(iout)
+c call flush(iout)
call sum_energy(energia,.true.)
c write (iout,*) "Exit ETOTAL_SHORT"
- call flush(iout)
+c call flush(iout)
return
end