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Fized same buffer issue in gather and gatherv in wham and cluster and a minor issue...
[unres.git]
/
source
/
wham
/
src
/
make_ensemble1.F
diff --git
a/source/wham/src/make_ensemble1.F
b/source/wham/src/make_ensemble1.F
index
e9c0754
..
5402f2c
100644
(file)
--- a/
source/wham/src/make_ensemble1.F
+++ b/
source/wham/src/make_ensemble1.F
@@
-34,7
+34,7
@@
character*5 ctemper
integer ilen
external ilen
character*5 ctemper
integer ilen
external ilen
- real*4 Fdimless(MaxStr)
+ real*4 Fdimless(MaxStr),Fdimless_(MaxStr)
double precision enepot(MaxStr)
integer iperm(MaxStr)
integer islice
double precision enepot(MaxStr)
integer iperm(MaxStr)
integer islice
@@
-184,7
+184,7
@@
c write (iout,*) 1.0d0/(beta_h(ib,iparm)*1.987D-3),ft
& +wbond*estr
#endif
#ifdef MPI
& +wbond*estr
#endif
#ifdef MPI
- Fdimless(i)=
+ Fdimless_(i)=
& beta_h(ib,iparm)*etot-entfac(i)
potE(i,iparm)=etot
#ifdef DEBUG
& beta_h(ib,iparm)*etot-entfac(i)
potE(i,iparm)=etot
#ifdef DEBUG
@@
-198,7
+198,7
@@
c write (iout,*) 1.0d0/(beta_h(ib,iparm)*1.987D-3),ft
#endif
enddo ! i
#ifdef MPI
#endif
enddo ! i
#ifdef MPI
- call MPI_Gatherv(Fdimless(1),scount(me),
+ call MPI_Gatherv(Fdimless_(1),scount(me),
& MPI_REAL,Fdimless(1),
& scount(0),idispl(0),MPI_REAL,Master,
& WHAM_COMM, IERROR)
& MPI_REAL,Fdimless(1),
& scount(0),idispl(0),MPI_REAL,Master,
& WHAM_COMM, IERROR)