X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fchainbuild.F;h=235db7f24a6fae810fbdaedda36d3c4f768c8630;hb=132235b8d133036519f7e98dd9dde507de4958a8;hp=45a1a53837e28da1c8198f61d4d9973d13076818;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD/chainbuild.F b/source/unres/src_MD/chainbuild.F index 45a1a53..235db7f 100644 --- a/source/unres/src_MD/chainbuild.F +++ b/source/unres/src_MD/chainbuild.F @@ -5,6 +5,11 @@ C As of 2/17/95. C implicit real*8 (a-h,o-z) include 'DIMENSIONS' +#ifdef MPI + include 'mpif.h' + include 'COMMON.SETUP' + include 'COMMON.TIME1' +#endif include 'COMMON.CHAIN' include 'COMMON.LOCAL' include 'COMMON.GEO' @@ -15,6 +20,24 @@ C logical lprn C Set lprn=.true. for debugging lprn = .false. +#ifdef MPI + if (nfgtasks.gt.1) then + time00=MPI_Wtime() + if (fg_rank.eq.0) + & call MPI_Bcast(13,1,MPI_INTEGER,king,FG_COMM,IERROR) + time01=MPI_Wtime() + call MPI_Bcast(phi(1),nres,MPI_DOUBLE_PRECISION, + & king,FG_COMM,IERR) + call MPI_Bcast(theta(1),nres,MPI_DOUBLE_PRECISION, + & king,FG_COMM,IERR) + call MPI_Bcast(alph(1),nres,MPI_DOUBLE_PRECISION, + & king,FG_COMM,IERR) + call MPI_Bcast(omeg(1),nres,MPI_DOUBLE_PRECISION, + & king,FG_COMM,IERR) + time_bcast=time_bcast+MPI_Wtime()-time00 + time_bcastc=time_bcastc+MPI_Wtime()-time01 + endif +#endif C C Define the origin and orientation of the coordinate system and locate the C first three CA's and SC(2).