adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M

[unres.git] / source / unres / src_MD / MREMD.F

diff --git a/source/unres/src_MD/MREMD.F b/source/unres/src_MD/MREMD.F
index b4f14d5..743cc8f 100644 (file)
--- a/source/unres/src_MD/MREMD.F
+++ b/source/unres/src_MD/MREMD.F
@@ -1704,7 +1704,6 @@ ctime        call flush(iout)
           call xdrffloat_(ixdrf, real(t_restart1(4,il)), iret)
           call xdrfint_(ixdrf, nss, iret) 
           do j=1,nss
-          do j=1,nss
            if (dyn_ss) then
             call xdrfint(ixdrf, idssb(j)+nres, iret)
             call xdrfint(ixdrf, jdssb(j)+nres, iret)
@@ -1997,9 +1996,14 @@ c     &                (d_restart1(j,i+2*nres*il),j=1,3)
               enddo
              endif
 #endif
-              call mpi_scatter(i2set,1,mpi_integer,
-     &           iset,1,mpi_integer,king,
-     &           CG_COMM,ierr) 
+Corrected AL 8/19/2014: each processor needs whole iset array not only its
+c own element
+c              call mpi_scatter(i2set,1,mpi_integer,
+c     &           iset,1,mpi_integer,king,
+c     &           CG_COMM,ierr)
+              call mpi_bcast(i2set(0),nodes,mpi_integer,king,
+     &         CG_COMM,ierr)
+              iset=i2set(me)
 
            endif