ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA

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kevintibbetts
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ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA

#1 Post by kevintibbetts » Wed Apr 13, 2022 2:32 pm

Hello,
I am getting an error on the second step of a TDHF run that I can't find any information online for.
The system is HgBr and I am running vasp.5.4.4.18. The error message is
internal error 4 in TWOELECTRON4O_STORE_SCALA: 2 1

I am attaching all the files requested in the forum guidelines. There was also a WAVECAR file from step 1 that was used as input, but it exceeds the 8MB limit.
thank you for any help,
Kevin
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merzuk.kaltak
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Re: ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA

#2 Post by merzuk.kaltak » Tue Apr 19, 2022 1:39 pm

Dear Kevin,

have you tried coarser k-point grids, for instance a 6 6 2 grid or even less k-points.
I am curious if you observe the same issue. If so, it would be easier for us to find the cause with a minimal setup.

kevintibbetts
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Re: ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA

#3 Post by kevintibbetts » Fri Apr 29, 2022 6:03 pm

I tried a smaller K (6 6 2) point grid and I no longer get that error. I have not been able to complete the run yet, but no more VASP errors. If I need a more dense k-grid are there any suggestions?
Thank you for the assistance,
Kevin

merzuk.kaltak
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Re: ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA

#4 Post by merzuk.kaltak » Tue May 03, 2022 4:11 pm

Dear Kevin,

it seems you are exceeding the memory on the node.
Do you know how much RAM is available on the compute node?

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