Show Posts
1
General Questions and Answers / Memory Error in Density of States Analysis
« on: April 25, 2016, 16:36 »
Hello,
I did calculation for Nano-wire to calculate the Density of States. In this process I used (1, 1, 25) K-points and I got satisfactory graph. However, when I tried again to calculate the density of states with (1, 1, 200) K-points so that the resolution of graph will be better, I got an error message "Memory Error".
So, I am requesting you to all who have a solution for this problem please reply. Since the calculation is already done for (1, 1, 200) K-points so how will I can reuse that calculation to generate DOS graph. My Laptop configurations are as follows Intel CORE i5 4th Generation processor @ 1.70GHz, NVIDIA GEFORCE Graphics Card 2GB, and 4GB RAM.
Below I am showing the output log file:
+------------------------------------------------------------------------------+
| |
| Density of States Analysis |
| |
+------------------------------------------------------------------------------+
|--------------------------------------------------|
Calculating DOS : ating DOS : ==================================================
Timing: Total Per Step
--------------------------------------------------------------------------------
File IO, nlread : 14.56 s 14.56 s 0.02|=============|
Loading Modules + MPI : 3.40 s 3.40 s 0.00|==|
--------------------------------------------------------------------------------
Total : 85558.13 s (23h45m58.13s)
Traceback (most recent call last):
File "Nanowire_DOS_More K Points_200.py", line 13, in <module>
bands_above_fermi_level=None,
File ".\zipdir\NL\Analysis\DensityOfStates.py", line 108, in __init__
File ".\zipdir\NL\Analysis\DensityOfStates.py", line 763, in calculateDensityOfStates
MemoryError
MemoryError
I did calculation for Nano-wire to calculate the Density of States. In this process I used (1, 1, 25) K-points and I got satisfactory graph. However, when I tried again to calculate the density of states with (1, 1, 200) K-points so that the resolution of graph will be better, I got an error message "Memory Error".
So, I am requesting you to all who have a solution for this problem please reply. Since the calculation is already done for (1, 1, 200) K-points so how will I can reuse that calculation to generate DOS graph. My Laptop configurations are as follows Intel CORE i5 4th Generation processor @ 1.70GHz, NVIDIA GEFORCE Graphics Card 2GB, and 4GB RAM.
Below I am showing the output log file:
+------------------------------------------------------------------------------+
| |
| Density of States Analysis |
| |
+------------------------------------------------------------------------------+
|--------------------------------------------------|
Calculating DOS : ating DOS : ==================================================
Timing: Total Per Step
--------------------------------------------------------------------------------
File IO, nlread : 14.56 s 14.56 s 0.02|=============|
Loading Modules + MPI : 3.40 s 3.40 s 0.00|==|
--------------------------------------------------------------------------------
Total : 85558.13 s (23h45m58.13s)
Traceback (most recent call last):
File "Nanowire_DOS_More K Points_200.py", line 13, in <module>
bands_above_fermi_level=None,
File ".\zipdir\NL\Analysis\DensityOfStates.py", line 108, in __init__
File ".\zipdir\NL\Analysis\DensityOfStates.py", line 763, in calculateDensityOfStates
MemoryError
MemoryError