Messages

1

Installation and License Questions / About the new job manager in ATK 2015

« on: October 31, 2015, 04:09 »

Hi all,
I find the new job manager in ATK 2015.  I have ATK license locked with my own computer. Is the new job manager in my own computer capable to have the job run in the remote machine which has no license?
Best
Guoqiang

2

Installation and License Questions / License invoking

« on: February 14, 2015, 01:02 »

Hi,
I have my license server ( floating license ) running in my own computer ( windows 8 ). I wonder if there a way to invoke this license from other computer with Linux system?
Best.

3

General Questions and Answers / Re: phonon dispersion, crash

« on: October 20, 2013, 19:33 »

Thank you very much, I see.

4

General Questions and Answers / phonon dispersion, crash

« on: October 19, 2013, 20:41 »

Hi
I calculated phonon dispersion by DFT, however this would make my computer crash every time after running for a while. And the attach here is my script. Is it a bug of the new version 13.8rc?
Thanks

5

General Questions and Answers / license update

« on: October 12, 2013, 03:37 »

Hi,
   My license version is 12.8 now. If I want to update it to 13.8, need I pay some extra fee?
Best,
Thanks

6

General Questions and Answers / Re: version conflict for package "Tcl": have 8.5.2, need exactly 8.5.10

« on: March 29, 2013, 14:27 »

It happens while executing "f, axarr = pylab.subplots(2, sharex=True)". But it is fine while executing on linux, it only happen on windows.

7

General Questions and Answers / version conflict for package "Tcl": have 8.5.2, need exactly 8.5.10

« on: March 29, 2013, 12:02 »

I have problems when doing data analysis, how to figure out it?

+------------------------------------------------------------------------------+
| NanoLanguageScript execution started                                         |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
|                                                                              |
| Atomistix ToolKit 12.8.2 [Build c2e18ea]                                     |
|                                                                              |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File "c:\users\admini~1\appdata\local\temp\9038603517388217.py", line 46, in <module>
    f, axarr = pylab.subplots(2, sharex=True)
  File ".\build\atkpython\lib\site-packages\matplotlib\pyplot.py", line 862, in subplots
  File ".\build\atkpython\lib\site-packages\matplotlib\pyplot.py", line 343, in figure
  File ".\build\atkpython\lib\site-packages\matplotlib\backends\backend_tkagg.py", line 80, in new_figure_manager
  File ".\build\atkpython\lib\lib-tk\Tkinter.py", line 1685, in __init__
_tkinter.TclError: Can't find a usable init.tcl in the following directories:
    C:/Python27/lib/tcl8.5 {G:/Program Files/QuantumWise/atk-12.8.2/atkpython/lib/tcl8.5} {G:/Program Files/QuantumWise/atk-12.8.2/lib/tcl8.5} {G:/Program Files/QuantumWise/atk-12.8.2/atkpython/library} {G:/Program Files/QuantumWise/atk-12.8.2/library} {G:/Program Files/QuantumWise/atk-12.8.2/tcl8.5.2/library} {G:/Program Files/QuantumWise/tcl8.5.2/library}

G:/Program Files/QuantumWise/atk-12.8.2/atkpython/lib/tcl8.5/init.tcl: version conflict for package "Tcl": have 8.5.2, need exactly 8.5.10
version conflict for package "Tcl": have 8.5.2, need exactly 8.5.10
    while executing
"package require -exact Tcl 8.5.10"
    (file "G:/Program Files/QuantumWise/atk-12.8.2/atkpython/lib/tcl8.5/init.tcl" line 18)
    invoked from within
"source {G:/Program Files/QuantumWise/atk-12.8.2/atkpython/lib/tcl8.5/init.tcl}"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list source $tclfile]"


This probably means that Tcl wasn't installed properly.


Timing:                          Total     Per Step        %

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

File IO, nlread         :       0.26 s       0.03 s       5.98% |=============|
--------------------------------------------------------------------------------
Total                   :       4.41 s
+------------------------------------------------------------------------------+
| NanoLanguageScript execution finished                                        |
+------------------------------------------------------------------------------+[/list]

8

General Questions and Answers / Re: Calculation in electrostatic field

« on: October 22, 2012, 08:28 »

12.8 yes

And how to add electrostatic field in 12.8?

9

General Questions and Answers / Piezoelectric tensor

« on: October 21, 2012, 09:32 »

Dear:
I wonder how to calculate Piezoelectric tensor in 12.8? Do you have a tutorials for this?

10

General Questions and Answers / Calculation in electrostatic field

« on: October 11, 2012, 08:22 »

Can we do calculation under electrostatic field now?