Dear all,
I got the error messenger from the re-calculation.
I checked all the structure but cannot find out where is problem ...
1- in log file: it keeps mentioning about the "  Calculation Converged in 0 steps "
2- this time I checked the error messenger:
" An electrode-like region in the central-region in a two-probe system may not contain
atoms not present in the corresponding electrode. The right electrode has 45 atoms defined,
while the right electrode-like region in the central-region contains 46 atoms. "

Could you please explain about the information in the error find for me?
I attached the py file and the error find.
plzz help me! thanks

Dear Anders Blom.

I tried to increase the layer in the central region like your idea: back to Builder and use device tools. However, my calculation still not work! it's still Calculation Converged in 0 steps
Do you have another idea to solve this error?
Or all I have to do is keep increasing the central region's size until successfully optimated?
and another thing is the log file was very big. it's almost 104Mb compare with the NETCDF file just only 37Mb... is this normally?
And How to reduce the time calcultion? because it's take almost 3 days!

I'm waiting for your reply ...
Plzz!
Thanks in advance.
 

Thanks you so much! ...
but the error still exits...
How can fix this problem?
should I change something on the set up process ...? what is the best of condition to optimized the two probe device?
plzzz! help me!

I attached the log file below!
I checked log file there no error messenger, but i saw that in the log file they mention about:
Calculation Converged in 0 steps...                         
.... So how to fix this error? could you help me!

                 

I will send to you the input Py file can you check for me?

Dear All,
Have a nice day.

I have a question about calculation in Parallel system.

I'm optimizing the structure of Silicon electrode with very simple molecule-dithiolbenzen.
with condition is:
device_configuration = OptimizeGeometry(
        device_configuration,
        max_forces=0.05*eV/Ang,
        max_stress=0.05*eV/Ang**3,
        max_steps=200,
        max_step_length=0.5*Ang,
        trajectory_filename=None,
        optimizer_method=QuasiNewton(),
And all the output file have a same source output.
After optimization was done, the output file includes: log file and NetCDF file. I checked the log file, it showed the
Timing:                          Total     Per Step        %

--------------------------------------------------------------------------------

Density Matrix          :   10587.96 s      38.64 s      19.02% |=============|
Constant Terms          :    1805.71 s      11.73 s       3.24% |=|
Real Space Integral     :    1285.27 s       2.79 s       2.31% |=|
Real Space Basis        :     466.25 s       2.99 s       0.84% ||
Basis Set Generation    :     443.67 s       2.84 s       0.80% ||
Valence Density         :     417.10 s       0.90 s       0.75% ||
Setting Density Matrix  :     165.79 s      41.45 s       0.30% |
Diagonalization         :     162.84 s       5.25 s       0.29% |
Exchange-Correlation    :     138.13 s       0.30 s       0.25% |
Hartree Potential       :      80.69 s       0.18 s       0.14% |
Mixing                  :      36.58 s       0.12 s       0.07% |
Difference Density      :      35.23 s       1.04 s       0.06% |
Core Density            :      12.83 s       0.38 s       0.02% |
Neutral Atom Potential  :       2.63 s       0.88 s       0.00% |
File IO, nlsave         :       0.06 s       0.06 s       0.00% |
Hubbard Term            :       0.00 s       0.00 s       0.00% |
--------------------------------------------------------------------------------
Total                   :   55680.73 s (15h28m00.73s)
I think the calculation was done!
but when I check the netCDF file just have only one the old configuration, the new configuration isn't including.

Could somebody help me! plzz!
 

Dear all,
I have a question about H-L Band Gap in MPSH calculation.
 
I tried to Calculate the MPSH of benzen in Silicon electrode under different bias,
usually, the Band-gap HOMO-LUMO of molecule benzen in Device junction would not change event under different applied bias right?

But in my case, with silicon electrode, the H-L band gap changed under different applied bias. I can't understand .... why it becomes like this??
Please help me!

local computer means windows based? : ATK12.2.1
and on the linux base also 12.2.1

everytime ...
I cannot obtain the data of netCDF file....
just only transmission spectra i can get from the log file ...
.... what should I do?

every body! 
no reply ....
 

Dear Nordland,
I tried to run again but the out put *nc file still cannot open...   
if the parallel system is working well it means that the problem may be come from the input file....
Due that I will explain clearly all steps I did ... could you please check for me ... ...
My situation is: using VNL on separated machine.
- making input file (*Py file) on PC -windows xp 64 bit from my lab
- then using Cmd file to upload input file on Parallel system -linux based 64 bit in other place.
1- Making input file:
using ATK.12.2.1 to build the py file, and then change the "nlsave" which looks like this:
------
--------------
#----------------------------------------
# Device Calculator
#----------------------------------------
calculator = DeviceLCAOCalculator(
    basis_set=basis_set,
    numerical_accuracy_parameters=device_numerical_accuracy_parameters,
    electrode_calculators=
        [left_electrode_calculator, right_electrode_calculator],
    electrode_voltages=( 0.6*Volt, 0.0*Volt)
    )

device_configuration.setCalculator(calculator)
nlprint(device_configuration)
device_configuration.update()
nlsave('/pwork01/p037jhd/Hien/test02/test.nc', device_configuration)

# -------------------------------------------------------------
# Transmission spectrum
# -------------------------------------------------------------
transmission_spectrum = TransmissionSpectrum(
    configuration=device_configuration,
    energies=numpy.linspace(-3,3,101)*eV,
    kpoints=MonkhorstPackGrid(1,1),
    energy_zero_parameter=AverageFermiLevel,
    infinitesimal=1e-06*eV,
    self_energy_calculator=DirectSelfEnergy(),
    )
nlsave('/pwork01/p037jhd/Hien/test02/test.nc', transmission_spectrum, labels=['TS'])
nlprint(transmission_spectrum)

# -------------------------------------------------------------
# Electron difference density
# -------------------------------------------------------------
electron_difference_density = ElectronDifferenceDensity(device_configuration)
nlsave('/pwork01/p037jhd/Hien/test02/test.nc', electron_difference_density, labels=['EDD'])
---------
-------------
2- upload file on paralell system by Cmd file:
-----
-------
#!/bin/bash
#@ job_type = MPICH
#@ wall_clock_limit = 120:00:00
#@ step_name = test.py
#@ notification = complete
#@ class = normal
#@ error = $(step_name).$(jobid).$(stepid).err
#@ output = $(step_name).$(jobid).$(stepid).out
#@ resources = ConsumableCpus(1)
##@ total_tasks = 6
##@ blocking = unlimited
#@ node = 6
#@ tasks_per_node = 16
#@ queue

. /home/applic/compilers/intel/2012.0.032/composer_xe_2011_sp1.6.233/bin/compilervars_arch.sh intel64
. /home/applic/compilers/intel/2012.0.032/impi/4.0.3.008/bin64/mpivars.sh intel64
. /home/applic/compilers/intel/2012.0.032/mkl/bin/mklvars.sh intel64

time mpirun -np $LOADL_TOTAL_TASKS -machinefile $LOADL_HOSTFILE /home/applic/Applications/QuantumWise/atk-12.2.1/atkpython/bin/atkpython /pwork01/p037jhd/Hien/test02/test.py
--------------
--------
then submit cmd file on parallel system.
3- Calculation:
after calculation I got the *out file looks like the log file, which shows:
----
----
+----------------------------------------------------------+

Timing:                          Total     Per Step        %

--------------------------------------------------------------------------------

Density Matrix          :     458.90 s      14.34 s      33.78% |=============|
Setting Density Matrix  :     199.01 s      49.75 s      14.65% |=====|
Real Space Integral     :     166.66 s       2.11 s      12.27% |====|
Valence Density         :     118.98 s       1.51 s       8.76% |===|
Transmission Spectrum   :      67.90 s      67.90 s       5.00% |=|
Diagonalization         :      60.92 s       1.42 s       4.48% |=|
Difference Density      :      42.31 s       0.92 s       3.11% ||
Core Density            :      37.15 s       0.81 s       2.73% ||
Hartree Potential       :      34.32 s       0.43 s       2.53% ||
Exchange-Correlation    :      21.31 s       0.27 s       1.57% ||
Constant Terms          :      20.31 s      10.15 s       1.49% ||
Mixing                  :      15.54 s       0.21 s       1.14% |
Basis Set Generation    :      12.68 s       3.17 s       0.93% |
Real Space Basis        :       7.71 s       1.93 s       0.57% |
Neutral Atom Potential  :       2.73 s       0.91 s       0.20% |
File IO, nlsave         :       0.20 s       0.07 s       0.01% |
Hubbard Term            :       0.00 s       0.00 s       0.00% |
--------------------------------------------------------------------------------
Total                   :    1358.68 s (22m38.68s)
----------
-------------
so I think the calculation was done!
automatically I obtained the NC file (around 20mb) .... and I downloaded and saved in my PC...
reopen VnL windows and run analysis file and that shows the error.
.....
so what should I do?
can you hepl me?

thanks you so much!
I tried your script and got the output file:

----------
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node:Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
 sinbaram07.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: Slave node: sinbaram06.plsi.or.kr
sinbaram06.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram02.plsi.or.krSlave node: sinbaram02.plsi.or.kr

Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
+------------------------------------------------------------------------------+
|                                                                              |
| Atomistix ToolKit 12.2.1 [Build fc22a9c]                                     |
|                                                                              |
+------------------------------------------------------------------------------+
Slave node: sinbaram02.plsi.or.kr
Master node: sinbaram04.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram06.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram02.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram04.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram07.plsi.or.kr
Slave node: sinbaram14.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node:Slave node: sinbaram11.plsi.or.kr
 sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
Slave node: sinbaram11.plsi.or.kr
---------------
-------------
because I just amateur in ATK so I cannot understand this code
is it ok? parallel system or not?
and how to fix the output nc* file?
Usually I use cmd file to run the input file on Parallel system...
--------------------
-----------
#!/bin/bash
#@ job_type = MPICH
#@ wall_clock_limit = 120:00:00
#@ step_name = atk_test
#@ notification = complete
#@ class = normal
#@ error = $(step_name).$(jobid).$(stepid).err
#@ output = $(step_name).$(jobid).$(stepid).out
#@ resources = ConsumableCpus(1)
##@ total_tasks = 6
##@ blocking = unlimited
#@ node = 6
#@ tasks_per_node = 16
#@ queue

. /home/applic/compilers/intel/2012.0.032/composer_xe_2011_sp1.6.233/bin/compilervars_arch.sh intel64
. /home/applic/compilers/intel/2012.0.032/impi/4.0.3.008/bin64/mpivars.sh intel64
. /home/applic/compilers/intel/2012.0.032/mkl/bin/mklvars.sh intel64

time mpirun -np $LOADL_TOTAL_TASKS -machinefile $LOADL_HOSTFILE /home/applic/Applications/QuantumWise/atk-12.2.1/atkpython/bin/atkpython /pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py
 ------------
-----------------

Dear all,

so this file went wrong... but how? because log file show that calculation was done...
I guess that maybe it is parallel system problem...
so I made the test.py test:

# ATK parallel test script
import socket
if processIsMaster():
print 'Master node:',
else:
print 'Slave node:',
print socket.gethostname()

and then I got the log file like this ...

  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
+------------------------------------------------------------------------------+
|                                                                              |
| Atomistix ToolKit 12.2.1 [Build fc22a9c]                                     |
|                                                                              |
+------------------------------------------------------------------------------+
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
      File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationErrorprint 'Master node:',
        ^
IndentationError: expected an indented block
: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line ", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
  File "     /pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line   4
 ^
    print 'Master node:',
    IndentationError: expected an indented block   
 ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
  File "/pwork01/p037jhd/Pham_Thu_Hien/2012.07.16/test/test.py", line 4
    print 'Master node:',
        ^
IndentationError: expected an indented block
-------------
---------------
 How can I fix this ... please help me!

Dear all,
I build the input file on ATK version win64 and then ran the input on parallel system (Linux based) after finish the calculation, I got *nc file
Usually when I build and run the input file in ATK windows based and get the output *nc file I can see the results in ATK window.
But this time, I cannot obtain the results... I got a messengers like this:
------------------
-----------------------
Traceback (most recent call last):
  File ".\zipdir\NL\GUI\Core\Runner.py", line 230, in run
  File ".\zipdir\NL\GUI\Tools\CustomAnalyzer\Analyzers\IVCurve.py", line 27, in analyzer
  File ".\zipdir\NL\IO\NLSaveUtilities.py", line 250, in nlread
  File ".\zipdir\NL\IO\MetaCDFFile.py", line 241, in __init__
  File ".\zipdir\NL\IO\MetaCDFFile.py", line 888, in _read
  File ".\zipdir\NL\IO\MetaCDFFile.py", line 909, in _readDimensions
NL.ComputerScienceUtilities.Exceptions.NLIOError: Error: unexpected header encountered when reading dimensions

So what's happening now? Could somebody helps me .... please!

Dear all,
I tried the code: ls -l /usr/lib/*GL* for checking the LibGL then in the terminal window they notice that:

hien911@Famhieido:~$ ls -l /usr/lib/*GL*
lrwxrwxrwx 1 root root     16 2012-06-20 21:16 /usr/lib/libGLEW.so.1.5 -> libGLEW.so.1.5.0
-rw-r--r-- 1 root root 225068 2008-02-12 01:48 /usr/lib/libGLEW.so.1.5.0
lrwxrwxrwx 1 root root     12 2012-06-20 21:16 /usr/lib/libGL.so.1 -> libGL.so.1.2
-rw-r--r-- 1 root root 394924 2008-04-06 07:06 /usr/lib/libGL.so.1.2
lrwxrwxrwx 1 root root     20 2012-06-20 21:16 /usr/lib/libGLU.so.1 -> libGLU.so.1.3.070002
-rw-r--r-- 1 root root 532568 2008-04-06 07:06 /usr/lib/libGLU.so.1.3.070002

so... how to execute it, and then  how try to start VNL again!
I don't know .... please help me!