X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenecalc1.F;h=0ed44d5c559aafa4a6ff331267ac53393a78fc13;hb=c14377021868e1be540e30d301c967d377da4f35;hp=01e5684412a3f81d4cb3a19d482cdbb3cfda128b;hpb=56b6e687a929b4935fe39b4abd8beb4e05265199;p=unres.git diff --git a/source/wham/src/enecalc1.F b/source/wham/src/enecalc1.F index 01e5684..0ed44d5 100644 --- a/source/wham/src/enecalc1.F +++ b/source/wham/src/enecalc1.F @@ -44,6 +44,7 @@ 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 character*64 bprotfile_temp call opentmp(islice,ientout,bprotfile_temp) @@ -269,11 +270,12 @@ c & " snk",snk_p(iR,ib,ipar) 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. - 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)