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corrections to changes form nostromo
[unres.git]
/
source
/
unres
/
src_CSA
/
unres_csa.F
diff --git
a/source/unres/src_CSA/unres_csa.F
b/source/unres/src_CSA/unres_csa.F
index
f229a9a
..
ce55133
100644
(file)
--- a/
source/unres/src_CSA/unres_csa.F
+++ b/
source/unres/src_CSA/unres_csa.F
@@
-148,6
+148,7
@@
c include 'COMMON.MD'
common /srutu/ icall
double precision energy(0:n_ene)
double precision energy_long(0:n_ene),energy_short(0:n_ene)
common /srutu/ icall
double precision energy(0:n_ene)
double precision energy_long(0:n_ene),energy_short(0:n_ene)
+ double precision varia(maxvar)
if (indpdb.eq.0) call chainbuild
c time00=MPI_Wtime()
call chainbuild_cart
if (indpdb.eq.0) call chainbuild
c time00=MPI_Wtime()
call chainbuild_cart
@@
-266,8
+267,8
@@
c enddo
totT=1.d0
eq_time=0.0d0
c call read_fragments
totT=1.d0
eq_time=0.0d0
c call read_fragments
- read(inp,*) t_bath
- call rescale_weights(t_bath)
+c read(inp,*) t_bath
+c call rescale_weights(t_bath)
call chainbuild_cart
call cartprint
call intout
call chainbuild_cart
call cartprint
call intout
@@
-302,6
+303,7
@@
C This method works only with parallel machines!
return
end
c---------------------------------------------------------------------------
return
end
c---------------------------------------------------------------------------
+#ifdef MPI
subroutine exec_mult_eeval_or_minim
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
subroutine exec_mult_eeval_or_minim
implicit real*8 (a-h,o-z)
include 'DIMENSIONS'
@@
-542,5
+544,13
@@
c Broadcast the order to compute internal coordinates to the slaves.
enddo
return
end
enddo
return
end
+#else
+ subroutine exec_mult_eeval_or_minim
+ include 'DIMENSIONS'
+ include 'COMMON.IOUNITS'
+ write (iout,*) "Unsupported option in serial version"
+ return
+ end
+#endif
c---------------------------------------------------------------------------
c---------------------------------------------------------------------------