Error with a toy example

[Bradley Welch]

Dear users and developers

I'm attempting to run a toy dft calculation with the following input. I get the following error. I'm attaching the following input. I am using nwchem 7.2.2

start n2

geometry
si 0.00000000 0.00000000 0.00000000
h 0.75252170 -0.75252170 0.75252170
h -0.75252170 0.75252170 0.75252170
h 0.75252170 0.75252170 -0.75252170
h -0.75252170 -0.75252170 -0.75252170
end

basis spherical
 * library sto-3g
end

DFT
XC b3lyp
end

task dft

 

Here's the error. Any help would be appreciated. 

 WARNING : Found    13 linear dependencies
 S eigenvalue threshold:     1.00000E-05
 Smallest S eigenvalue :     0.00000E+00
 Largest  S eigenvalue :     0.00000E+00

  WARNING: movecs_in_org=atomic not equal to movecs_in=./n2.movecs
   Time after variat. SCF:      0.5
   Time prior to 1st pass:      0.5

[Edoardo Aprà]

This input file show not result in 13 linear dependencies (where 13 is number of basis functions!)

This is a clear sign that major issues in your NWChem installation.

Could you try to use the NWChem Docker images as described in https://nwchemgit.github.io/Containers.html#docker, instead?