Hi
i used ATK 2016, i want to calculated the iv curve at 0~2 V, using the *.nc at 0 V bias , but the calculation process interupt, the log said:
+------------------------------------------------------------------------------+
| |
| Transmission Spectrum Analysis |
| |
+------------------------------------------------------------------------------+
|--------------------------------------------------|
Calculating Transmission : ==================================================
+------------------------------------------------------------------------------+
| IV-Curve Calculation |
+------------------------------------------------------------------------------+
| The current will be calculated at 10 points between 0.000 to 2.000 V. |
| Note: The current has already been calculated at 0.000 V. |
| Each bias point will be calculated using 4/4 MPI processes. |
| |
| Bias Point Process Group Log File |
| 0.200 0 ivcurve_0.20000V.log |
| 0.400 0 ivcurve_0.40000V.log |
| 0.600 0 ivcurve_0.60000V.log |
| 0.800 0 ivcurve_0.80000V.log |
| 1.000 0 ivcurve_1.00000V.log |
| 1.200 0 ivcurve_1.20000V.log |
| 1.400 0 ivcurve_1.40000V.log |
| 1.600 0 ivcurve_1.60000V.log |
| 1.800 0 ivcurve_1.80000V.log |
| 2.000 0 ivcurve_2.00000V.log |
+------------------------------------------------------------------------------+
rank 3 in job 5 node11_56242 caused collective abort of all ranks
exit status of rank 3: killed by signal 11
the outfile only has three :
ivcurve_0.20000V.log
ivcurve_0.40000V.log
ivcurve_0.60000V.log
i found the above three file, the calculation is not complete, all stopped:
+------------------------------------------------------------------------------+
| |
| NEGF DFT Calculation [Finished Wed Aug 24 16:56:55 2016] |
| |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| |
| Device DFT Calculation [Finished Wed Aug 24 16:56:55 2016] |
| |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| |
| Transmission Spectrum Analysis |
| |
+------------------------------------------------------------------------------+
|--------------------------------------------------|
Calculating Transmission : ==================================================
so i am wondering what happened? is it memory problem?or would i complete my iv calculation?
