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Error during AIMD step (memory issue)

Posted: Fri Nov 06, 2020 8:05 am
by corning_ctck
Dear all,

Recently, I am running a AIMD calculation with 180 atoms in a cell.
HPC in my lab is 96 cores/node with 768 Gb memory. I submitted a AIMD run with 2nodes (192cores), but after 2 MD runs, calculation was crashed.
The error message is as in below. I think it is related with memory, but not sure how can I fix it.
The weird thing is the first two step was running very well. It took only 1~2 min.
Please let me know if you have any ideas about this.

[node43:764146:0:764146] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x7ffdece5b480)
[node43:764178:0:764178] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x7ffcf11ae300)

Re: Error during AIMD step (memory issue)

Posted: Fri Nov 06, 2020 1:00 pm
by ferenc_karsai
Can you please upload your important calculational files according to the forum guidelines?