X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2FMCM_MD.f90;h=aa3f3fed991ecf8e482c3c1e486a66b2ee63864b;hb=5caab5415c9f7622a0d0085135a520b49f5cd4fd;hp=afb31bb4a99a86a7c2d5108f3720ad5d810f8582;hpb=299e2c41124d3fa8adba7244716515a2cc160ed1;p=unres4.git diff --git a/source/unres/MCM_MD.f90 b/source/unres/MCM_MD.f90 index afb31bb..aa3f3fe 100644 --- a/source/unres/MCM_MD.f90 +++ b/source/unres/MCM_MD.f90 @@ -1034,8 +1034,8 @@ use energy_data use geometry_data - use MPI_data, only:ifinish,nctasks,WhatsUp,MyID - use control_data, only:refstr,MaxProcs + use MPI_data, only:ifinish,nctasks,WhatsUp,MyID,NProcs + use control_data, only:refstr !,MaxProcs use io_base use control, only:tcpu,ovrtim use regularize_, only:fitsq @@ -1067,12 +1067,12 @@ real(kind=8) :: przes(3),obr(3,3) real(kind=8),dimension(6*nres) :: varold !(maxvar) (maxvar=6*maxres) logical :: non_conv - integer,dimension(-1:MaxMoveType+1,0:MaxProcs-1) :: moves1,moves_acc1 !(-1:MaxMoveType+1,0:MaxProcs-1) + integer,dimension(-1:MaxMoveType+1,0:NProcs-1) :: moves1,moves_acc1 !(-1:MaxMoveType+1,0:MaxProcs-1) #ifdef MPL - real(kind=8) :: etot_temp,etot_all(0:MaxProcs) + real(kind=8) :: etot_temp,etot_all(0:NProcs) !(0:MaxProcs) external d_vadd,d_vmin,d_vmax real(kind=8),dimension(-max_ene:max_ene) :: entropy1,nhist1 - integer,dimension(nres*(MaxProcs+1)) :: nbond_move1,nbond_acc1 + integer,dimension(nres*(NProcs+1)) :: nbond_move1,nbond_acc1 !(nres*(MaxProcs+1)) integer,dimension(2) :: itemp #endif real(kind=8),dimension(6*nres) :: var_lowest !(maxvar) (maxvar=6*maxres)