From: Pawel Krupa <vetinari@piasek4.chem.univ.gda.pl>
Date: Thu, 26 Mar 2015 19:05:59 +0000 (+0100)
Subject: MD problems fixed with FGPROC>1
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=76bcdcd9a8e98434a28acfbd1654c7e78c54b2f4

MD problems fixed with FGPROC>1
---

diff --git a/source/unres/src_MD-M/lagrangian_lesyng.F b/source/unres/src_MD-M/lagrangian_lesyng.F
index f8834ea..024c6d1 100644
--- a/source/unres/src_MD-M/lagrangian_lesyng.F
+++ b/source/unres/src_MD-M/lagrangian_lesyng.F
@@ -476,7 +476,7 @@ 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
@@ -497,11 +497,12 @@ 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)
 c        write (2,*) "My chunk of z"
-c        do i=1,3*my_ng_count
+        do i=1,3*my_ng_count
+          z(i)=zcopy(i)
 c          write (2,*) i,z(i)
-c        enddo
+        enddo
 c        write (2,*) "After SCATTERV"
 c        call flush(2)
 c        write (2,*) "MPI_Wtime",MPI_Wtime()
@@ -628,7 +629,7 @@ 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
@@ -642,11 +643,12 @@ 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)
 c        write (2,*) "My chunk of z"
-c        do i=1,3*my_ng_count
+        do i=1,3*my_ng_count
+          z(i)=zcopy(i)
 c          write (2,*) i,z(i)
-c        enddo
+        enddo
         time_scatter=time_scatter+MPI_Wtime()-time00
 #ifdef TIMING
         time_scatter_fmatmult=time_scatter_fmatmult+MPI_Wtime()-time00