X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA%2Finitialize_p.F;h=b3affabcceb5e89ff9a9a8a5068e6e2508f4aa0f;hb=ff73ddbe323f5af85e31af14caa0ee6fc162a94a;hp=fb749400b880b469bc6a415ebbc1b5b6b63914a1;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git

diff --git a/source/unres/src_CSA/initialize_p.F b/source/unres/src_CSA/initialize_p.F
index fb74940..b3affab 100644
--- a/source/unres/src_CSA/initialize_p.F
+++ b/source/unres/src_CSA/initialize_p.F
@@ -271,9 +271,9 @@ c-------------------------------------------------------------------------
      &   "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD",
      &   "WSTRAIN","WVDWPP","WBOND","SCAL14","     ","    ","WSCCOR",
      &   " "," ","WDFAD","WDFAT","WDFAN","WDFAB"/
-      data nprint_ene /20/
+      data nprint_ene /24/
       data print_order/1,2,3,11,12,13,14,4,5,6,7,8,9,10,19,18,15,17,16,
-     & 21,0,0,0,0,0,0,0/
+     & 21,24,25,26,27,0,0,0/
       end 
 c---------------------------------------------------------------------------
       subroutine init_int_table
@@ -293,11 +293,11 @@ c---------------------------------------------------------------------------
       include 'COMMON.IOUNITS'
       include 'COMMON.DERIV'
       include 'COMMON.CONTACTS'
-      common /przechowalnia/ iturn3_start_all(0:MaxProcs),
-     & iturn3_end_all(0:MaxProcs),iturn4_start_all(0:MaxProcs),
-     & iturn4_end_all(0:MaxProcs),iatel_s_all(0:MaxProcs),
-     & iatel_e_all(0:MaxProcs),ielstart_all(maxres,0:MaxProcs-1),
-     & ielend_all(maxres,0:MaxProcs-1),
+      common /przechowalnia/ iturn3_start_all(0:max_fg_procs),
+     & iturn3_end_all(0:max_fg_procs),iturn4_start_all(0:max_fg_procs),
+     & iturn4_end_all(0:max_fg_procs),iatel_s_all(0:max_fg_procs),
+     &iatel_e_all(0:max_fg_procs),ielstart_all(maxres,0:max_fg_procs-1),
+     & ielend_all(maxres,0:max_fg_procs-1),
      & ntask_cont_from_all(0:max_fg_procs-1),
      & itask_cont_from_all(0:max_fg_procs-1,0:max_fg_procs-1),
      & ntask_cont_to_all(0:max_fg_procs-1),
@@ -1112,15 +1112,16 @@ c---------------------------------------------------------------------------
       include "COMMON.INTERACT"
       include "COMMON.SETUP"
       include "COMMON.IOUNITS"
-      integer ii,jj,itask(4),ntask_cont_to,itask_cont_to(0:MaxProcs-1)
+      integer ii,jj,itask(4),ntask_cont_to,
+     & itask_cont_to(0:max_fg_procs-1)
       logical flag
       integer iturn3_start_all,iturn3_end_all,iturn4_start_all,
      & iturn4_end_all,iatel_s_all,iatel_e_all,ielstart_all,ielend_all
-      common /przechowalnia/ iturn3_start_all(0:MaxProcs),
-     & iturn3_end_all(0:MaxProcs),iturn4_start_all(0:MaxProcs),
-     & iturn4_end_all(0:MaxProcs),iatel_s_all(0:MaxProcs),
-     & iatel_e_all(0:MaxProcs),ielstart_all(maxres,0:MaxProcs-1),
-     & ielend_all(maxres,0:MaxProcs-1)
+      common /przechowalnia/ iturn3_start_all(0:max_fg_procs),
+     & iturn3_end_all(0:max_fg_procs),iturn4_start_all(0:max_fg_procs),
+     & iturn4_end_all(0:max_fg_procs),iatel_s_all(0:max_fg_procs),
+     &iatel_e_all(0:max_fg_procs),ielstart_all(maxres,0:max_fg_procs-1),
+     & ielend_all(maxres,0:max_fg_procs-1)
       integer iproc,isent,k,l
 c Determines whether to send interaction ii,jj to other processors; a given
 c interaction can be sent to at most 2 processors.
@@ -1202,15 +1203,15 @@ c---------------------------------------------------------------------------
       include "COMMON.SETUP"
       include "COMMON.IOUNITS"
       integer ii,jj,itask(2),ntask_cont_from,
-     & itask_cont_from(0:MaxProcs-1)
+     & itask_cont_from(0:max_fg_procs-1)
       logical flag
       integer iturn3_start_all,iturn3_end_all,iturn4_start_all,
      & iturn4_end_all,iatel_s_all,iatel_e_all,ielstart_all,ielend_all
-      common /przechowalnia/ iturn3_start_all(0:MaxProcs),
-     & iturn3_end_all(0:MaxProcs),iturn4_start_all(0:MaxProcs),
-     & iturn4_end_all(0:MaxProcs),iatel_s_all(0:MaxProcs),
-     & iatel_e_all(0:MaxProcs),ielstart_all(maxres,0:MaxProcs-1),
-     & ielend_all(maxres,0:MaxProcs-1)
+      common /przechowalnia/ iturn3_start_all(0:max_fg_procs),
+     & iturn3_end_all(0:max_fg_procs),iturn4_start_all(0:max_fg_procs),
+     & iturn4_end_all(0:max_fg_procs),iatel_s_all(0:max_fg_procs),
+     &iatel_e_all(0:max_fg_procs),ielstart_all(maxres,0:max_fg_procs-1),
+     & ielend_all(maxres,0:max_fg_procs-1)
       integer iproc,k,l
       do iproc=fg_rank+1,nfgtasks-1
         do k=iturn3_start_all(iproc),iturn3_end_all(iproc)
@@ -1262,7 +1263,7 @@ c---------------------------------------------------------------------------
       subroutine add_task(iproc,ntask_cont,itask_cont)
       implicit none
       include "DIMENSIONS"
-      integer iproc,ntask_cont,itask_cont(0:MaxProcs-1)
+      integer iproc,ntask_cont,itask_cont(0:max_fg_procs-1)
       integer ii
       do ii=1,ntask_cont
         if (itask_cont(ii).eq.iproc) return