Topics

31

General Questions and Answers / geometry optimization for graphene

« on: August 30, 2012, 22:00 »

i am getting segmentation fault when trying to optimize geometry for a device ... is there a basic example of optimizing the geometry of a 2 probe graphene system?

32

General Questions and Answers / vnl crashes when changing lattice dimensions in bulk mode

« on: August 10, 2012, 01:12 »

just an fyi, i was messing around placing atoms in the bulk mode in builder, and every time i change the lattice size vnl crashes .. windows 7 64-bit, vnl 12.1 i believe. 

33

Installation and License Questions / wierd errors

« on: August 7, 2012, 09:39 »

** (main.tcl:25691): WARNING **: Command line `dbus-launch --autolaunch=c43a87b7c556a0bc2f34c5d40000000a --binary-syntax --close-stderr' exited with non-zero exit status 1: Autolaunch error: X11 initialization failed.\n

starting getting this all of a sudden ... tried license manager, got this .. tried reinstall atk, got this .. what is it?

34

General Questions and Answers / III-V

« on: July 31, 2012, 07:32 »

a collegue of mine wants to make some III-V material TFETs .. I have been using ATK for graphene, so i know those tools fairly well, but can you point out a good tutorial to help start making this type of device? 

35

Installation and License Questions / libjpeg.so.62?

« on: July 24, 2012, 06:26 »

tried to install latest atk on a machine i used before ... got this error when running atk

Traceback (most recent call last):
  File "<string>", line 1, in <module>
  File "./zipdir/NL/__init__.py", line 4, in <module>
  File "./zipdir/NLEngine.py", line 35, in <module>
  File "./zipdir/NLEngine.py", line 17, in swig_import_helper
ImportError: libjpeg.so.62: cannot open shared object file: No such file or directory

36

Installation and License Questions / atkpython breaks python install?

« on: July 16, 2012, 08:43 »

i have been running atkpython just fine, but now when i try to run a basic python file as i always do, i get this error: it seems  i cannot use python by itself anymore, after installing atk 12.2 ... any ideas?

Traceback (most recent call last):
  File "C:\<myfile>.py", line 5, in <module>
    import cgi
  File ".\build\atkpython\lib\cgi.py", line 40, in <module>
    import urllib
  File ".\build\atkpython\lib\urllib.py", line 26, in <module>
    import socket
  File ".\build\atkpython\lib\socket.py", line 47, in <module>
    import _socket
ImportError: DLL load failed: %1 is not a valid Win32 application.
Press any key to continue . . .

37

General Questions and Answers / cannot rotate structure in vnl 12.2.1?

« on: July 16, 2012, 06:30 »

it seems i can no longer rotate the configuration in VNL 12.2.1 ... is this a bug in vnl, or something to do with my computer?  i was able to rotate just fine previoussly with 11.8 ... i see the structure fine, i can zoom in and out, but click and drag and no rotation at all, only top view ... any ideas?

38

General Questions and Answers / mpi and if processIsMaster()

« on: July 12, 2012, 03:53 »

i am running a simple test script using mpi, where the script says:

Code

if processIsMaster():
  print "master"
else:
  print "slave"

I set it up for 4 nodes of 8 processors each, and after running it printed master 32 times .. what does it mean?

I ran as below:

Code

module load intel
module load pmpi/intel
mpirun -np 32 $ATK_BIN_DIR/atkpython $SRC_DIR/$SCRIPT1   ..otherstuff..

39

Installation and License Questions / supercomputers

« on: March 21, 2012, 02:17 »

I just access to some machines with hundreds of cores and tons of memory, i want to make use of them but having some difficulty installing ... do you know what this means?


 /home/it1/patakye/ATK/atkpython/bin//atkpython: line 3: 26274 Killed                  PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../share/pseudopotentials GPAW_SETUP_PATH=$EXEC_DIR/../share/gpaw-setups/ PYTHONHOME=$EXEC_DIR/.. PYTHONPATH= LD_LIBRARY_PATH=$EXEC_DIR/../lib $EXEC_DIR/atkpython_exec $*

40

General Questions and Answers / has anyone seen this type of IV curve?

« on: March 14, 2012, 07:00 »

I am wondering if anyone out there has seen this happen with graphene, and if you have any insight into what it might mean?  How is it possible that the IV curve is so bumpy? all transmission calcs were saved with specific object ids corresponding to the Vds and Vgs values (concatenated into a string), and plotted using the same object ids, ...  Dr. Blom saw the script and did not find anything obviously wrong, so then, what is this?  if it is physical then ok, but I cant explain it .. anyone?

41

General Questions and Answers / IV curves from analyzer

« on: February 27, 2012, 03:34 »

when i plot IV curves from a transmission spectrum, i see a lot of bumps in the curve, corresponding to a bumpy trans spectrum .. but when i plot using the analyzer, it smoothes them out somehow .. the question is, is it physically correct to smooth it out .. or not?

42

Future Releases / log plots?

« on: February 27, 2012, 03:14 »

can we see IV curves on log scales in analyzer? if not good feature to add

43

Future Releases / combined plot functionality

« on: February 21, 2012, 07:02 »

would like to see a feature (and atkpython function call) which would allow you to put together device structure, ldos, transmission, IV curves, and other things into a nice combined plot, or maybe PDF report output ..

44

Future Releases / grid thumbnail view

« on: February 18, 2012, 08:07 »

i would like to see a view option when viewing the nc file list, with a thumbnail generated for each file, showing the configuation as a thumbnail, or transmission results as a thumbnail, etc ... so i can look in a directory and quickly find different configurations, etc .. see results more easily ...

45

Future Releases / pan 3d view

« on: February 18, 2012, 07:51 »

larger device are hard to see when inspecting script generated topology ... have to zoom in and out and cannot pan .. please add panning the view