diff -Naur lammps-21Nov08/src/min_cg.cpp lammps-24Nov08/src/min_cg.cpp --- lammps-21Nov08/src/min_cg.cpp 2008-11-06 08:17:59.000000000 -0700 +++ lammps-24Nov08/src/min_cg.cpp 2008-11-24 08:02:29.000000000 -0700 @@ -148,6 +148,7 @@ einitial = ecurrent; + f = NULL; if (ndof) f = atom->f[0]; tmp = 0.0; for (int i = 0; i < ndof; i++) tmp += f[i]*f[i]; @@ -206,6 +207,7 @@ efinal = ecurrent; + f = NULL; if (ndof) f = atom->f[0]; tmp = 0.0; for (int i = 0; i < ndof; i++) tmp += f[i]*f[i]; @@ -278,7 +280,7 @@ double beta,gg,dot[2],dotall[2]; double *f = NULL; - if (ndof) atom->f[0]; + if (ndof) f = atom->f[0]; for (i = 0; i < ndof; i++) h[i] = g[i] = f[i]; dot[0] = 0.0; diff -Naur lammps-21Nov08/src/min_sd.cpp lammps-24Nov08/src/min_sd.cpp --- lammps-21Nov08/src/min_sd.cpp 2008-04-16 18:06:14.000000000 -0600 +++ lammps-24Nov08/src/min_sd.cpp 2008-11-24 08:02:29.000000000 -0700 @@ -38,7 +38,8 @@ int i,fail,ntimestep; double dot,dotall; - double *f = atom->f[0]; + double *f = NULL; + if (ndof) f = atom->f[0]; for (i = 0; i < ndof; i++) h[i] = f[i]; neval = 0; @@ -65,7 +66,7 @@ // force tolerance criterion - f = atom->f[0]; + if (ndof) f = atom->f[0]; dot = 0.0; for (i = 0; i < ndof; i++) dot += f[i]*f[i]; MPI_Allreduce(&dot,&dotall,1,MPI_DOUBLE,MPI_SUM,world);