X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMREMD.F;h=493dbb59ff6bebec0f7fcb95f1639d8c6268094b;hb=9b34a2f96dcd2b17215a7751bfa9840b95ebd75e;hp=b3db8ab2e9cce54c764eecb4800acf8519a0176b;hpb=d0d389b657069f2239991163a15a46c42a36e097;p=unres.git diff --git a/source/unres/src_MD-M/MREMD.F b/source/unres/src_MD-M/MREMD.F index b3db8ab..493dbb5 100644 --- a/source/unres/src_MD-M/MREMD.F +++ b/source/unres/src_MD-M/MREMD.F @@ -1,4 +1,4 @@ -#define DEBUG +c#define DEBUG subroutine MREMD implicit real*8 (a-h,o-z) include 'DIMENSIONS' @@ -700,13 +700,14 @@ c Update the time safety limiy safety=time001-time00+600 write (iout,*) "****** SAFETY increased to",safety," s" endif - if (ovrtim()) end_of_run=.true. + if (ovrtim() .and. me.eq.king) end_of_run=.true. + call MPI_Bcast(end_of_run,1,MPI_LOGICAL,king,CG_COMM,IERR) endif if(synflag.and..not.end_of_run) then time02=MPI_WTIME() synflag=.false. - write(iout,*) 'REMD before',me,t_bath +c write(iout,*) 'REMD before',me,t_bath c call mpi_gather(t_bath,1,mpi_double_precision, c & remd_t_bath,1,mpi_double_precision,king,