X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fmain_clust.F;fp=source%2Fcluster%2Fwham%2Fsrc-M%2Fmain_clust.F;h=5b3cfe88e1038611eafee3137565e1976ccb5ea1;hb=ae8d9c0b861e24dfda2917c3a7f495eed21c227d;hp=3c7e4302c1b55cae4dd239e98ac2fd28daa7ca3d;hpb=04faa577d15f891beaa242b6285f3d900a6a6634;p=unres.git diff --git a/source/cluster/wham/src-M/main_clust.F b/source/cluster/wham/src-M/main_clust.F index 3c7e430..5b3cfe8 100644 --- a/source/cluster/wham/src-M/main_clust.F +++ b/source/cluster/wham/src-M/main_clust.F @@ -41,6 +41,7 @@ C double precision hrtime,mintime,sectime logical eof external ilen + integer nTend #ifdef MPI call MPI_Init( IERROR ) call MPI_Comm_rank( MPI_COMM_WORLD, me, IERROR ) @@ -123,7 +124,12 @@ c call flush(iout) write (iout,*) 'from read_coords: ncon',ncon write (iout,*) "nT",nT - do iT=1,nT + if (cumul_prob) then + nTend=1 + else + nTend=nT + endif + do iT=1,nTend write (iout,*) "iT",iT #ifdef MPI call work_partition(.true.,ncon)