X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fwham.F90;h=78304d8b9b10fdc59308ed3bfbcebc62556a2df6;hb=bc23440fbe68672d430f71f22f46b11265f003db;hp=def4ee1cef9310a18f29e3d21045d1251d42e0a8;hpb=e9af9725daa77c2cfbf1c689b24ed86b01e59f4a;p=unres4.git diff --git a/source/wham/wham.F90 b/source/wham/wham.F90 index def4ee1..78304d8 100644 --- a/source/wham/wham.F90 +++ b/source/wham/wham.F90 @@ -15,7 +15,7 @@ use mpi_data ! use mpi_ #endif - use control, only:initialize + use control, only:initialize,hpb_partition !el use io_config, only:parmread ! #ifndef ISNAN @@ -54,9 +54,6 @@ !#define WHAM_RUN ! call alloc_wham_arrays !write(iout,*) "after alloc wham" - write (*,"(A,/,A,/,A,/,A)") "Last Christmas", & - "I gave you my heart","But the very next day", & - "You gave it away" #ifdef MPI call MPI_Init( IERROR ) call MPI_Comm_rank( MPI_COMM_WORLD, me, IERROR ) @@ -132,7 +129,10 @@ !write(iout,*)"before proc_cont, define frag" call proc_cont call fragment_list - if (constr_dist.gt.0) call read_dist_constr + endif + if (constr_dist.gt.0) then + call read_dist_constr + call hpb_partition endif write (iout,*) "Begin read_database" call flush(iout)