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all CMakeLists.txt updated with corrected names and directories
[unres.git]
/
source
/
cluster
/
wham
/
src
/
probabl.F
diff --git
a/source/cluster/wham/src/probabl.F
b/source/cluster/wham/src/probabl.F
index
420d6f7
..
da1bf5c
100644
(file)
--- a/
source/cluster/wham/src/probabl.F
+++ b/
source/cluster/wham/src/probabl.F
@@
-83,7
+83,11
@@
c enddo
& dlog(dexp(quotl)+dexp(-quotl))
enddo
c write (iout,*) 1.0d0/(beta_h(ib)*1.987D-3),ft
& dlog(dexp(quotl)+dexp(-quotl))
enddo
c write (iout,*) 1.0d0/(beta_h(ib)*1.987D-3),ft
- call flush(iout)
+c#ifdef AIX
+c call flush_(iout)
+c#else
+c call flush(iout)
+c#endif
endif
#ifdef MPI
endif
#ifdef MPI
@@
-94,7
+98,7
@@
c write (iout,*) 1.0d0/(beta_h(ib)*1.987D-3),ft
ii=i
#endif
c write (iout,*) "i",i," ii",ii
ii=i
#endif
c write (iout,*) "i",i," ii",ii
- call flush(iout)
+c call flush(iout)
if (ib.eq.1) then
do j=1,nres
do k=1,3
if (ib.eq.1) then
do j=1,nres
do k=1,3
@@
-126,7
+130,7
@@
c write (iout,*) "i",i," ii",ii
enddo
c call intout
enddo
c call intout
- call flush(iout)
+c call flush(iout)
#endif
do k=1,max_ene
enetb(k,i)=energia(k)
#endif
do k=1,max_ene
enetb(k,i)=energia(k)