READT: ERROR reading file | bug or not?

Find answers or ask questions regarding Dalton calculations.
Please upload an output file showing the problem, if applicable.
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abbott_cn
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Joined: 04 May 2014, 06:56
First name(s): Abbott
Last name(s): WANG
Affiliation: State Key Lab of Theoretical and Computational Chemistry
Country: China

READT: ERROR reading file | bug or not?

Post by abbott_cn » 13 May 2019, 04:01

The same input file, the same dalton2019 code compiled by the same Intel compiler (2015.1.133) and intel mpi (5.0.2.044).

But the different HPC platform:
  • HPC_A, E3-1245 v3 @ 3.40GHz, 5 nodes, linked with 1000 bps network, NFS shared storage.
  • HPC_B, E5-2690 v3 @ 2.60GHz, 2 CPU per node, shared storage powered by IB network.
The problem is, the calculation fails on HPC_B with the following message:
READT: ERROR reading file
/home/chem-abbott/dalton_run/feb14-pt-kr-def2tzvp/6nodes/pt-feb14-1-input-02-li
te-TD-T1-CH2Cl2-B3LYP.863030.mu01/DALTON_
UNIT 10 record length 8696601 error code 0

--- SEVERE ERROR, PROGRAM WILL BE ABORTED ---
Date and time (Linux) : Mon May 13 00:35:25 2019
Host name : cu221

@ MPI MASTER, node no.: 0
@ Reason: READT: Error reading file


On HPC_A, the calculation terminated normally.
Attachments
failed-HPC_b.log
(103.34 KiB) Downloaded 8 times
normal-termination_HPC_A.log
(411.91 KiB) Downloaded 6 times

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magnus
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Re: READT: ERROR reading file | bug or not?

Post by magnus » 13 May 2019, 10:33

The amount of memory is different in the two calculations and it is lower in the failed one (0.5 GB vs 2 GB). Perhaps that's the reason it fails.

hjaaj
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Re: READT: ERROR reading file | bug or not?

Post by hjaaj » 13 May 2019, 10:55

I think the most likely explanation is that in case B the disk has run full or some other I/O problem (e.g. network problems).

abbott_cn
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Re: READT: ERROR reading file | bug or not?

Post by abbott_cn » 20 May 2019, 05:16

Confirmed.
Not bug.
It is a memory issue.

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