Author Topic: How to Initialize from a converged state  (Read 1162 times)

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Offline dmicje12

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How to Initialize from a converged state
« on: November 20, 2024, 13:43 »
Hi everyone!
Because coredump happens frequently on my server.
I confirm that my memory usage is sufficient (but I'm not sure if my ram is damaged)
I am calculating the IV of a 2-lead device. My plan is that I want my job to first converge to dE and dH 1e-2, then use this as the Initial state to calculate 1e-3, and finally converge to 1e- 4 or less, can this be done? If it can be done, how should it be done? If not, is there a similar method?
thank you

Offline dmicje12

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Re: How to Initialize from a converged state
« Reply #1 on: November 21, 2024, 06:01 »
[16547.681714] quantumatk[113938]: segfault at 100000009 ip 000079a194d08280 sp 00007fff5bf16218 error 4 in libQt5Gui.so.5.15.12[79a1948e5000+466000] likely on CPU 91 (core 43, socket 1)
Hello!
I found the crash report of coredump
Is there any solution to this?
The QATK version I use is 2024.09 and the OS version is ubuntu24.04.
The coredump occurs when SCF has completed its convergence when calculating IVCharacteristics. When entering Calculating Transmission, it suddenly crashes. My MPI setting is 24 and the threads setting is 8. What causes the coredump?
My CPU is amd epyc7k62 x2 total is 96cores and
Ram is 512g
Thanks
« Last Edit: November 21, 2024, 07:23 by dmicje12 »