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Merge branch 'prerelease-3.2.1'
[unres.git]
/
source
/
wham
/
src
/
enecalc1.F
diff --git
a/source/wham/src/enecalc1.F
b/source/wham/src/enecalc1.F
index
01e5684
..
c71b9c0
100644
(file)
--- a/
source/wham/src/enecalc1.F
+++ b/
source/wham/src/enecalc1.F
@@
-44,8
+44,9
@@
double precision fT(6),quot,quotl,kfacl,kfac /2.4d0/,T0 /3.0d2/
double precision tt
integer snk_p(MaxR,MaxT_h,Max_parm)
double precision fT(6),quot,quotl,kfacl,kfac /2.4d0/,T0 /3.0d2/
double precision tt
integer snk_p(MaxR,MaxT_h,Max_parm)
+ integer scount_(0:MaxProcs)
logical lerr
logical lerr
- character*64 bprotfile_temp
+ character*128 bprotfile_temp
call opentmp(islice,ientout,bprotfile_temp)
iii=0
ii=0
call opentmp(islice,ientout,bprotfile_temp)
iii=0
ii=0
@@
-269,11
+270,12
@@
c & " snk",snk_p(iR,ib,ipar)
121 continue
enddo
#ifdef MPI
121 continue
enddo
#ifdef MPI
- scount(me)=iii
+c scount(me)=iii
+ scount_(me)=iii
write (iout,*) "Me",me," scount",scount(me)
call flush(iout)
c Master gathers updated numbers of conformations written by all procs.
write (iout,*) "Me",me," scount",scount(me)
call flush(iout)
c Master gathers updated numbers of conformations written by all procs.
- call MPI_AllGather( scount(me), 1, MPI_INTEGER, scount(0), 1,
+ call MPI_AllGather( scount_(me), 1, MPI_INTEGER, scount(0), 1,
& MPI_INTEGER, WHAM_COMM, IERROR)
indstart(0)=1
indend(0)=scount(0)
& MPI_INTEGER, WHAM_COMM, IERROR)
indstart(0)=1
indend(0)=scount(0)
@@
-348,7
+350,7
@@
c------------------------------------------------------------------------------
include "COMMON.PROT"
character*64 nazwa
character*80 bxname,cxname
include "COMMON.PROT"
character*64 nazwa
character*80 bxname,cxname
- character*64 bprotfile_temp
+ character*128 bprotfile_temp
character*3 liczba,licz
character*2 licz2
integer i,itj,ii,iii,j,k,l
character*3 liczba,licz
character*2 licz2
integer i,itj,ii,iii,j,k,l