| Re: Convergence and time-consuming issues of large-scale calculations ( No.1 )|
- Date: 2018/03/28 12:52
- Name: T. Ozaki
Calculations of DOS and band dispersion require more computational memory.
So, I wonder that the segmentation fault you encountered is caused by such a calculation.
Could you show us more information showing the place where the segmentation fault happened?
To make use of more memory, you can specify the number of MPI processes per node (or cpu)
when you submit a job. By specifying a less number of MPI processes, a memory size per MPI process
can be increased, which may resolve the segmentation fault. If this does not work, please use
more nodes with more memory.
| Re: Convergence and time-consuming issues of large-scale calculations ( No.2 )|
- Date: 2018/04/02 15:50
- Name: xmzhang <firstname.lastname@example.org>
Thank you very much! According to your suggestion, our problem is solved.