I am optimizing the 67 atoms file with the following path
opt freq m06/6-31g(d) scrf=(cpcm,solvent=water) nosymm scf=(fermi,xq
c,maxconventionalcycles=30)
I am getting this error
LinEq1: Iter= 0 NonCon= 1 RMS=6.41D-04 Max=2.37D-01
AlAXAO: NMat= 1 NPMax= 8 NPMax1= 0 MaxMat= 0.
29432529 words are not enough for AlAXAO.
Error termination via Lnk1e in /home/user/g09/l508.exe.
I don't know how to solve this error. Can any body help me?
This is probably due to insufficient memory. Increase %mem in your input and run it in a system where sufficient memory is available.
This is probably due to insufficient memory. Increase %mem in your input and run it in a system where sufficient memory is available.
I agree with Debasish, definitely seems like a memory issue. Apart from that, you may find the following link useful:
https://www.ace-net.ca/wiki/Gaussian_Error_Messages
29432529 words are not enough for AlAXAO.
you may rise the memory
(1 MW = 1,048,576 words (= 8,388,608 bytes)(32bytes))
with the key word
%mem=
Does seem like an issue with memory, so try increasing with "%mem=" command, as noted above. If this happens immediately (1st SCF iteration), then that's probably the only problem. If this is happening after several SCF cycles or several optimization steps, you may want to try scf=yqc, a newer qc algorithm for large molecules -
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