[CPMD-list] process in local group is dead..help

[okan.esenturk at nist.gov]

Hi all,
 I am new in this  and not sure it is a network problem or a setting problem.
When I request a run for same input file for two different ppotentials, one 
(SG_BLYP) runs and the other (VDB_BLYP) fails. 

Here is the CPMD output for the failed one..

 --initial part then
 ***     DETSP| SIZE OF THE PROGRAM IS    2640/  77644 kBYTES ***
MPI_Recv: process in local group is dead (rank 1, SSI:coll:smp:local comm 
for CID 0)
Rank (3, MPI_COMM_WORLD): Call stack within LAM:
Rank (3, MPI_COMM_WORLD):  - MPI_Recv()
Rank (3, MPI_COMM_WORLD):  - MPI_Bcast()
Rank (3, MPI_COMM_WORLD):  - MPI_Bcast()
Rank (3, MPI_COMM_WORLD):  - main()

----
I have read in one of the list e-mail that this could be due to network talk 
failure. However, it worls for one of the potentials and not for the other one. 

Could any one tell me how can I make this thing work?

Here is the input file that did not work.....
---------
# L-Serine unit cell: coordinates created using "mercury".
&CPMD
  GEOMETRY OPTIMIZATION XYZ
  CONVERGENCE INITIAL
   1.0d-5
  CONVERGENCE GEOMETRY
   1.0d-6
  CONVERGENCE ORBITALS
   1.0d-7
  CONVERGENCE ADAPT
   0.02
  CONVERGENCE ENERGY
   0.05

  SPLINE POINTS
   3000

  STRUCTURE BONDS
  STRUCTURE ANGLES
&END

&DFT
  FUNCTIONAL PBE
  GC-CUTOFF
   1.0d-6
&END

# Serine unit cell is Orthorhombic P212121,
# so we can use a b c alpha beta gamma:
# CRYST1   8.5710   9.3250   5.6150  90.00  90.00  90.00   P212121
&SYSTEM
  POINT GROUP DELTA=1.0E-6	
   AUTO
  ANGSTROM
  SYMMETRY
   ORTHORHOMBIC
  CELL ABSOLUTE DEGREE
   8.571 9.325 5.615 90.00 90.00 90.00
  CUTOFF SPHERICAL
    120.0
&END

&ATOMS
*C_VDB_BLYP.psp GAUSS-HERMITE=50 FORMATTED
LMAX=P
 12
    Coordinates omitted..
*N_VDB_BLYP.psp GAUSS-HERMITE=50 FORMATTED
LMAX=P
 4
    Coordinates omitted..
*O_VDB_BLYP.psp GAUSS-HERMITE=50 FORMATTED
LMAX=P
 12
        Coordinates omitted..
*H_VDB_BLYP.psp GAUSS-HERMITE=50 FORMATTED
LMAX=S
 28
        Coordinates omitted..
&END


Thanks,

Okan Esenturk

------- End of forwarded message -------


NIST, Optical Technology Division
301 975 825
okan.esenturk at nist.gov