hi everyone,
I am working on transport properties with gate but as I submit the script for job manager and run it (either parallel or serial) the atkpython stop working without any notification and then job finished without error. It happens when loading left electrode and in the log
+------------------------------------------------------------------------------+
| |
| Left Electrode Calculation [Started Wed May 09 09:37:07 2018] |
| |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| |
| Storage of orbitals in real space requires 55 MB. |
| |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| |
| Real space grid sampling is (295, 53, 46) in a, b, and c directions. |
| |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| |
| Storage of atomic core grids requires 5 MB per grid |
| |
+------------------------------------------------------------------------------+
then it stopped and finished without any error on the output....
Is it from my structure? since when i completely remove the gate, the structure work and calculate the transport.
What is happening here?
I will send the python of structure if needed in private.
thanks
Rose
