QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kaypu on October 26, 2012, 07:42

Title: Wrong in calculating LDOS
Post by: kaypu on October 26, 2012, 07:42

Dear QuantumWise staff:
  i calculate LDOS from -2eV to 2eV, step is 0.1eV, something wrong with it?
****************************************

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================

                            |--------------------------------------------------|
Calculating LDOS           : ==================================================
Traceback (most recent call last):
  File "c:\docume~1\utada\locals~1\temp\5692917575785543.py", line 541, in <module>
    nlsave('D:/DATA/7armchair00-LDOS.nc', local_device_density_of_states)
  File ".\zipdir\NL\IO\NLSaveUtilities.py", line 175, in nlsave
  File ".\zipdir\NL\Analysis\LocalDeviceDensityOfStates.py", line 217, in _nlsave
  File ".\zipdir\NL\IO\IOUtilityFunctions.py", line 398, in write3DArray
  File ".\zipdir\NL\IO\NetCDFFile.py", line 188, in createVariable
MemoryError
*************************************************************************

Regards

Title: Re: Wrong in calculating LDOS
Post by: Anders Blom on October 26, 2012, 09:36

It says MemoryError, so I would assume your computer doesn't have enough RAM.

Try to split the loop up so you do only a few points per run. If that fails maybe you need to put the LDOS objects in separate files. Or, get more RAM, it's very cheap ;)

Title: Re: Wrong in calculating LDOS
Post by: kaypu on October 26, 2012, 15:50

thank you  professor Anders