X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fmain_clust.F;h=3c7e4302c1b55cae4dd239e98ac2fd28daa7ca3d;hb=eee3a1e3f0ccd607d4ca71f73afaea1fb952a05c;hp=9835c0137cc2700f8da177199cdf80c58a68494a;hpb=1c3ad78852a0a2ad058457910934eb8ca35174a8;p=unres.git diff --git a/source/cluster/wham/src-M/main_clust.F b/source/cluster/wham/src-M/main_clust.F index 9835c01..3c7e430 100644 --- a/source/cluster/wham/src-M/main_clust.F +++ b/source/cluster/wham/src-M/main_clust.F @@ -62,6 +62,7 @@ C call initialize call openunits + call cinfo call parmread call read_control call molread @@ -148,8 +149,6 @@ C C CALCULATE DISTANCES C call daread_ccoords(1,ncon_work) - write (iout,*) "AM I HERE" - call flush(iout) ind1=0 DO I=1,NCON_work-1 if (mod(i,100).eq.0) print *,'Calculating RMS i=',i @@ -191,7 +190,7 @@ c write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND) #ifdef MPI - WRITE (iout,*) "Wchodze do call MPI_Gatherv" +c WRITE (iout,*) "Wchodze do call MPI_Gatherv" call MPI_Gatherv(diss_buf(1),scount_buf,MPI_REAL,diss(1), & scount(0),idispl(0),MPI_REAL,Master,MPI_COMM_WORLD, IERROR) if (me.eq.master) then