Memory issue when calculating mobility

[hezr]

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.

Code: Select all

     epmatkqread automatically changed to .TRUE. as all scattering have been computed.

--------------------------------------------------------------------------
mpirun noticed that process rank 0 with PID 0 on node comp19 exited on signal 9 (Killed).
--------------------------------------------------------------------------

I restarted the job and noticed that it crashed because the memory was full (more than 700GB).

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
===================================================================================

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