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
ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA
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kevintibbetts
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ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA
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merzuk.kaltak
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Re: ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA
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.
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.
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kevintibbetts
- Newbie
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- Joined: Mon Feb 28, 2005 2:07 pm
Re: ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA
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
Thank you for the assistance,
Kevin
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merzuk.kaltak
- Administrator
- Posts: 282
- Joined: Mon Sep 24, 2018 9:39 am
Re: ALGO=TDHF Error - TWOELECTRON4O_STORE_SCALA
Dear Kevin,
it seems you are exceeding the memory on the node.
Do you know how much RAM is available on the compute node?
it seems you are exceeding the memory on the node.
Do you know how much RAM is available on the compute node?