From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Tue, 20 Oct 2015 18:26:08 +0000 (+0200)
Subject: changes to avoid problems with MPI_Scatterv in mpich2 for FGPROC>1
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=3d9388f68364e8474cd88f47bd086bd8d988c726;p=unres.git

changes to avoid problems with MPI_Scatterv in mpich2 for FGPROC>1
---

diff --git a/source/unres/src_MD-M/lagrangian_lesyng.F b/source/unres/src_MD-M/lagrangian_lesyng.F
index f8834ea..bd7f549 100644
--- a/source/unres/src_MD-M/lagrangian_lesyng.F
+++ b/source/unres/src_MD-M/lagrangian_lesyng.F
@@ -124,6 +124,7 @@ c------------------------------------------------------------------
       integer ierror
 #endif
       include 'COMMON.SETUP'
+      include 'COMMON.CONTROL'
       include 'COMMON.VAR'
       include 'COMMON.CHAIN'
       include 'COMMON.DERIV'
@@ -282,9 +283,11 @@ c Invert the G matrix
      &    nginv_start(0),1,MPI_INTEGER,FG_COMM,IERROR)
         call MPI_Allgather(myginv_ng_count,1,MPI_INTEGER,
      &    nginv_counts(0),1,MPI_INTEGER,FG_COMM,IERROR)
-        write (iout,*) "nginv_start",(nginv_start(i),i=0,nfgtasks-1)
-        write (iout,*) "nginv_counts",(nginv_counts(i),i=0,nfgtasks-1)
-        call flush(iout)
+        if (lprn .and. (me.eq.king .or. .not. out1file) ) then
+          write (iout,*) "nginv_start",(nginv_start(i),i=0,nfgtasks-1)
+          write (iout,*) "nginv_counts",(nginv_counts(i),i=0,nfgtasks-1)
+          call flush(iout)
+        endif
 c        call MPI_Scatterv(ginv(1,1),nginv_counts(0),
 c     &    nginv_start(0),MPI_DOUBLE_PRECISION,ginv,
 c     &    myginv_ng_count,MPI_DOUBLE_PRECISION,king,FG_COMM,IERR)
@@ -476,7 +479,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.TIME1'
       include 'COMMON.MD'
       double precision z(dimen3),d_a_tmp(dimen3),temp(maxres6),time00
-     &time01
+     &,time01,zcopy(dimen3)
 #ifdef MPI
       if (nfgtasks.gt.1) then
         if (fg_rank.eq.0) then
@@ -497,7 +500,10 @@ c        call MPI_Barrier(FG_COMM,IERROR)
         time00=MPI_Wtime()
         call MPI_Scatterv(z,ng_counts(0),ng_start(0),
      &    MPI_DOUBLE_PRECISION,
-     &    z,3*my_ng_count,MPI_DOUBLE_PRECISION,king,FG_COMM,IERR)
+     &    zcopy,3*my_ng_count,MPI_DOUBLE_PRECISION,king,FG_COMM,IERR)
+         do i=1,3*my_ng_count
+           z(i)=zcopy(i)
+         enddo
 c        write (2,*) "My chunk of z"
 c        do i=1,3*my_ng_count
 c          write (2,*) i,z(i)
@@ -628,7 +634,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.LANGEVIN.lang0'
 #endif
       double precision z(dimen3),d_a_tmp(dimen3),temp(maxres6),time00
-     &time01
+     &,time01,zcopy(dimen3)
 #ifdef MPI
       if (nfgtasks.gt.1) then
         if (fg_rank.eq.0) then
@@ -642,7 +648,11 @@ c        call MPI_Barrier(FG_COMM,IERROR)
         time00=MPI_Wtime()
         call MPI_Scatterv(z,ng_counts(0),ng_start(0),
      &    MPI_DOUBLE_PRECISION,
-     &    z,3*my_ng_count,MPI_DOUBLE_PRECISION,king,FG_COMM,IERR)
+     &    zcopy,3*my_ng_count,MPI_DOUBLE_PRECISION,king,FG_COMM,IERR)
+
+         do i=1,3*my_ng_count
+          z(i)=zcopy(i)
+         enddo
 c        write (2,*) "My chunk of z"
 c        do i=1,3*my_ng_count
 c          write (2,*) i,z(i)