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General Questions and Answers / Sudden stopped during calculation with a job completion sign?
« on: August 7, 2025, 05:01 »
Dear All,
Why my calculation for dielectric tensor suddenly stopped at this point ans gave me a completed job sign?
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Automatically detected repetitions = [3 3 3] |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Dynamical Matrix Study |
+------------------------------------------------------------------------------+
| 19 task(s) will be executed. |
| |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: +x |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: -x |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: +y |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: -y |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: +z |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: -z |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: +x |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: -x |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: +y |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: -y |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: +z |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: -z |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: +x |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: -x |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: +y |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: -y |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: +z |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: -z |
| * Generate dynamical matrix from displaced forces |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Executing task 1 / 19: |
| Force calculation |
| Atom index: 0 |
| Displacement direction: +x |
| Log to: forces_displacement_0_plus_x.log
Why my calculation for dielectric tensor suddenly stopped at this point ans gave me a completed job sign?
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Automatically detected repetitions = [3 3 3] |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Dynamical Matrix Study |
+------------------------------------------------------------------------------+
| 19 task(s) will be executed. |
| |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: +x |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: -x |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: +y |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: -y |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: +z |
| * Force calculation |
| Atom index: 0 |
| Displacement direction: -z |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: +x |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: -x |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: +y |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: -y |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: +z |
| * Force calculation |
| Atom index: 8 |
| Displacement direction: -z |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: +x |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: -x |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: +y |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: -y |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: +z |
| * Force calculation |
| Atom index: 16 |
| Displacement direction: -z |
| * Generate dynamical matrix from displaced forces |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Executing task 1 / 19: |
| Force calculation |
| Atom index: 0 |
| Displacement direction: +x |
| Log to: forces_displacement_0_plus_x.log
