abinit error in ATK 13.8

[rose]

Hi,
i want to run very simple calculation using Abinit in ATK 13.8
unfortunately i got following error
what is the problem? and how i can solve it?
+------------------------------------------------------------------------------+
| NanoLanguageScript execution started                                         |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
|                                                                              |
| Atomistix ToolKit 13.8.0 [Demo][Build e8e7427]                               |
|                                                                              |
+------------------------------------------------------------------------------+
+----------------------------------------------------------+
| Bulk Bravais lattice                                     |
+----------------------------------------------------------+
Type:
UnitCell

Lattice constants:

Primitive vectors:
u_1 =     10.000000      0.000000      0.000000 Ang
u_2 =      0.000000     17.104300      0.000000 Ang
u_3 =      0.000000      0.000000      2.461002 Ang

+----------------------------------------------------------+
| Bulk: Cartesian (Angstrom) / fractional                  |
+----------------------------------------------------------+
10
Bulk
C     5.000000e+00  1.210430e+01  0.000000e+00    0.50000  0.70768  0.00000
C     5.000000e+00  5.000000e+00  0.000000e+00    0.50000  0.29232  0.00000
C     5.000000e+00  5.710430e+00  1.230501e+00    0.50000  0.33386  0.50000
C     5.000000e+00  7.131290e+00  1.230501e+00    0.50000  0.41693  0.50000
C     5.000000e+00  7.841720e+00  0.000000e+00    0.50000  0.45846  0.00000
C     5.000000e+00  9.262580e+00  0.000000e+00    0.50000  0.54154  0.00000
C     5.000000e+00  9.973010e+00  1.230501e+00    0.50000  0.58307  0.50000
C     5.000000e+00  1.139387e+01  1.230501e+00    0.50000  0.66614  0.50000
H     5.000000e+00  1.319430e+01  0.000000e+00    0.50000  0.77140  0.00000
H     5.000000e+00  3.910001e+00  0.000000e+00    0.50000  0.22860  0.00000
+------------------------------------------------------------------------------+
|                                                                              |
| Abinit Calculation  [Started Sat Oct 26 12:05:39 2013]                       |
|                                                                              |
+------------------------------------------------------------------------------+
################################################################################
#                                                                              #
# INFO                                                                         #
#                                                                              #
# ============================================================================ #
#                                                                              #
# Running "C:\Program Files\QuantumWise\atk-13.8.0\atkpython\bin\abinit.exe" < #
# "c:\docume~1\apaclu~1\locals~1\temp\tmpiu01f8\files.files"                   #
#                                                                              #
################################################################################
+------------------------------------------------------------------------------+
| Abinit log                                                                   |
+------------------------------------------------------------------------------+
| Abinit PID = 1628                                                            |
| Path to files: c:\docume~1\apaclu~1\locals~1\temp\tmpiu01f8                  |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File ".\zipdir\NL\Calculators\AbinitCalculator\AbinitCalculator.py", line 510, in _results
  File ".\zipdir\NL\Calculators\AbinitCalculator\AbinitRun.py", line 739, in readResults
NLIOError: ERROR while reading c:\docume~1\apaclu~1\locals~1\temp\tmpiu01f8\output_OUT.nc

[Anders Blom]

It can be seen from the logfile that the Abinit calculation never even starts up. To find out why, check if the input files are still available in c:\docume~1\apaclu~1\locals~1\temp\tmpiu01f8\ (if not, attempt to run again and make a note of the new location of the files). Then run Abinit from the command line, as indicated in the output:

"C:\Program Files\QuantumWise\atk-13.8.0\atkpython\bin\abinit.exe" < "c:\docume~1\apaclu~1\locals~1\temp\tmpiu01f8\files.files"

and see what this prints.

When you launch abinit for the first time, at least on Windows 7 it will pop up a dialog asking if you allow this program to run. If your firewall rules are very strict, maybe this doesn't come up (although then I supposed ATK itself wouldn't run either...).