X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Fmain_clust.F;fp=source%2Fcluster%2Fwham%2Fsrc%2Fmain_clust.F;h=4b6478a8efb0d5af07ba120d8a7ca657e4ce60b9;hp=4f500917d0a79a6c81aeafb0eb35448340c8ed0c;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/source/cluster/wham/src/main_clust.F b/source/cluster/wham/src/main_clust.F index 4f50091..4b6478a 100644 --- a/source/cluster/wham/src/main_clust.F +++ b/source/cluster/wham/src/main_clust.F @@ -23,7 +23,7 @@ C logical printang(max_cut) integer printpdb(max_cut) integer printmol2(max_cut) - character*240 lineh + character*240 lineh,scrachdir2d REAL CRIT(maxconf),MEMBR(maxconf) REAL CRITVAL(maxconf-1) INTEGER IA(maxconf),IB(maxconf) @@ -34,13 +34,13 @@ C DIMENSION NN(maxconf),DISNN(maxconf) LOGICAL FLAG(maxconf) integer i,j,k,l,m,n,len,lev,idum,ii,ind,ioffset,jj,icut,ncon, - & it,ncon_work,ind1 + & it,ncon_work,ind1,ilen double precision t1,t2,tcpu,difconf double precision varia(maxvar) double precision hrtime,mintime,sectime logical eof - + external ilen #ifdef MPI call MPI_Init( IERROR ) call MPI_Comm_rank( MPI_COMM_WORLD, me, IERROR ) @@ -107,7 +107,6 @@ c if (refstr) call read_ref_structure(*30) #ifdef MPI call work_partition(.true.,ncon) #endif - call probabl(iT,ncon_work,ncon,*20) if (ncon_work.lt.2) then @@ -165,7 +164,8 @@ c write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND) & scount(0),idispl(0),MPI_REAL,Master,MPI_COMM_WORLD, IERROR) if (me.eq.master) then #endif - open(80,file='/tmp/distance',form='unformatted') + scrachdir2d=scratchdir(:ilen(scratchdir))//'distance' + open(80,file=scrachdir2d,form='unformatted') do i=1,ndis write(80) diss(i) enddo