Reason: Not enough memory to construct T2TP in CC3_OMEG

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arunpal
Posts: 5
Joined: 04 Apr 2017, 22:18
First name(s): Arun
Middle name(s): Kumar
Last name(s): Pal
Affiliation: SUNY, UB
Country: United States

Reason: Not enough memory to construct T2TP in CC3_OMEG

Post by arunpal » 09 Jun 2017, 22:28

Hello,

I am using DALTON2016 code for calculation of polarizability and hyperpolarizabilities. I have faced memory problem when I am going to calculate the same with CCSD(T) method. My molecule have 24 atoms and using very small basis set 6-31G(d). But it works for a molecule with 16 atoms. I have attached the .out files herewith. In slurm I am using 10gb of memory. Is there any way to solve this?

err file:

Node 0: --- SEVERE ERROR, PROGRAM WILL BE ABORTED ---
Not enough memory to construct T2TP in CC3_OMEG
forrtl: severe (71): integer divide by zero
Image PC Routine Line Source
dalton.x 00000000023020F1 Unknown Unknown Unknown
dalton.x 000000000230022B Unknown Unknown Unknown
dalton.x 000000000229A534 Unknown Unknown Unknown
dalton.x 000000000229A346 Unknown Unknown Unknown
dalton.x 0000000002206369 Unknown Unknown Unknown
dalton.x 00000000022105BF Unknown Unknown Unknown
libpthread-2.17.s 00002B6AC093D370 Unknown Unknown Unknown
dalton.x 0000000000B84F9E Unknown Unknown Unknown
dalton.x 0000000000B9C57F Unknown Unknown Unknown
dalton.x 00000000013CBC54 Unknown Unknown Unknown
dalton.x 000000000089C9CD Unknown Unknown Unknown
dalton.x 000000000083A1F2 Unknown Unknown Unknown
dalton.x 0000000000567E34 Unknown Unknown Unknown
dalton.x 0000000000418723 Unknown Unknown Unknown
dalton.x 0000000000414893 Unknown Unknown Unknown
dalton.x 00000000004068BB Unknown Unknown Unknown
dalton.x 0000000000405EDE Unknown Unknown Unknown
libc-2.17.so 00002B6AC0B6BB35 __libc_start_main Unknown Unknown
dalton.x 0000000000405DE9 Unknown Unknown Unknown


Regards,
Arun
Attachments
ccsdt_hyper.out
(14.07 KiB) Downloaded 64 times
ccsdt_hyper_dalton.out
(99.38 KiB) Downloaded 66 times

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