Memory issue when calculating mobility
Posted: Tue May 24, 2022 9:32 am
Dear all,
I'm using EPW v5.4.1 to calculate the carrier mobility under several temperatures. However, after all scatterings are calculated, the code crashed.
I restarted the job and noticed that it crashed because the memory was full (more than 700GB).
The only way I can come up with is to calculate the mobility under a single temperature every time. But in this way, it seems that the scattering has to be recalculated every time, which will take a lot of time. So, I wonder if there are any methods to continue this interrupted calculation using less memory, and with the scattering data that I already had to avoid recalculation. Thanks a lot.
Best Regards,
hezr
I'm using EPW v5.4.1 to calculate the carrier mobility under several temperatures. However, after all scatterings are calculated, the code crashed.
Code: Select all
epmatkqread automatically changed to .TRUE. as all scattering have been computed.
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mpirun noticed that process rank 0 with PID 0 on node comp19 exited on signal 9 (Killed).
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Code: Select all
Number of ep-matrix elements per pool : 807360 ~= 6.16 Mb (@ 8 bytes/ DP)
Number of elements per core 931669010
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 10211 RUNNING AT comp22
= EXIT CODE: 9
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
Best Regards,
hezr