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no type declaration in common
[unres.git]
/
source
/
unres
/
src_CSA
/
minim_jlee.F
diff --git
a/source/unres/src_CSA/minim_jlee.F
b/source/unres/src_CSA/minim_jlee.F
index
d83b15b
..
2b53f11
100644
(file)
--- a/
source/unres/src_CSA/minim_jlee.F
+++ b/
source/unres/src_CSA/minim_jlee.F
@@
-1,3
+1,4
@@
+#ifdef MPI
subroutine minim_jlee
c controls minimization and sorting routines
implicit real*8 (a-h,o-z)
subroutine minim_jlee
c controls minimization and sorting routines
implicit real*8 (a-h,o-z)
@@
-42,6
+43,12
@@
c print *, 'MINIM_JLEE: ',me,' is waiting'
time1s=MPI_WTIME()
write (iout,'(a12,f10.4,a4)')'Waiting for ',time1s-time0s,' sec'
call flush(iout)
time1s=MPI_WTIME()
write (iout,'(a12,f10.4,a4)')'Waiting for ',time1s-time0s,' sec'
call flush(iout)
+ if (info(1).eq.0.and.info(2).eq.-2) then
+cd write (iout,*) 'Parallel tmscore for refresh bank'
+cd call flush(iout)
+ call refresh_bank_worker_tmscore(var)
+ goto 10
+ endif
n=info(1)
c print *, 'MINIM_JLEE: ',me,' received: ',n
n=info(1)
c print *, 'MINIM_JLEE: ',me,' received: ',n
@@
-369,6
+376,16
@@
cd call enerprint(energia(0))
* i4,' # of gradient calls ',i4,10x)
975 format (' energy ',1p,e12.4,' scaled gradient ',e11.3,32x)
end
* i4,' # of gradient calls ',i4,10x)
975 format (' energy ',1p,e12.4,' scaled gradient ',e11.3,32x)
end
+#else
+ subroutine minim_jlee
+c controls minimization and sorting routines
+ implicit real*8 (a-h,o-z)
+ include 'DIMENSIONS'
+ include 'COMMON.IOUNITS'
+ write (iout,*) "Unsupported option for serial version"
+ return
+ end
+#endif
logical function check_var(var,info)
implicit real*8 (a-h,o-z)
logical function check_var(var,info)
implicit real*8 (a-h,o-z)