X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenecalc1.F;fp=source%2Fwham%2Fsrc%2Fenecalc1.F;h=c71b9c04f2796b9e421ba0685a3d2b0e8e34da0f;hp=01e5684412a3f81d4cb3a19d482cdbb3cfda128b;hb=9453fc761eb545fcb727824c94d012dbf3931951;hpb=6f521277aa2a382d409f5189957283b0998b0d07 diff --git a/source/wham/src/enecalc1.F b/source/wham/src/enecalc1.F index 01e5684..c71b9c0 100644 --- 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) + integer scount_(0:MaxProcs) logical lerr - character*64 bprotfile_temp + character*128 bprotfile_temp 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 - 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) @@ -348,7 +350,7 @@ c------------------------------------------------------------------------------ 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