I get this error in Gaussian09 even though I have enough memory. "Error termination in NtrErr: NtrErr called from FIOCnC." Any suggestions?

Matter Modeling Asked by QuantumX on January 5, 2022

Whenever read-write files get to about 20Gb, I get this error. I know that, in G09, one rw file is limited to 16Gb. So I have set the software to write several RWFs. But it still keeps producing this error…
My input line and rwf line look like this:


#p opt freq=noraman rccsd/genecp nosymm

Any suggestions? Thank you in advance!

One Answer

It turns out, splitting the scratch files doesn't help. I have a 32-bit version of Gaussian, and it has a 16Gb limit for the combined size of the scratch files (I don't know how I could miss that). So splitting the read-write file can't help here. Looks like I'll have to find better computational resources.

Answered by QuantumX on January 5, 2022

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