DFT energy calculation error

[Eric]

Hi prof,

I am trying to  do CONVERGENCE energy 1e-12 for a SiH4 system. Here is my input file.

start SiH4
 title "SiH4 in 6-31G* basis set "
geometry units angstrom  
load SiH4.xyz
end
basis
 * library 6-31G*
end
dft
XC slater vwn_5
 maxiter 99
 CONVERGENCE energy 1e-12
end
task dft energy

The error looks like this:

0: grid_nbfm: silly accgauss:Received an Error in Communication
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI COMMUNICATOR 3 DUP FROM 0
with errorcode 28.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------

May I ask what is the problem here?

Best,

Eric

[Eric]

Sorry, forgot to attach the xyz file. Here is the coordinations

Si                   -0.66134338    -0.71202370    -1.03286837

 H                    -0.17136020    -2.09795894    -1.03286837
 H                     0.67201303    1.17357701     2.23311856
 H                     0.85702195     0.85702195    -2.23311856
 H                    -2.13134338    -0.71200559    -1.03286837

[Edoardo Aprà]

The problem here is that the numerical accuracy  of the DFT code cannot provide cannot converged energies with twelve digits