Dear all, I also run into such problems frequently, especially at the time I am calculating large systems (100+ atoms) with small amount of k-points. In the recent case (gamma-point calculations of a molecule in MFI cage) I solved the problem by changing the number of processors from 36 to 16. So it seems like the problem is related to the parallelization. Also I found my job run smoothly with number of processors equals to either 24 or 68.
Hope it helps you. Best, Zhao-Bin Ding _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
