DubaiAmateurRocketry - 17-8-2018 at 23:53
There has been 2 errors ive been running into, on 2 methods.
one of them is CBS-4M, the other one is B3LYP 6-31g(d).
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For B3LYP 6-31g(d) problem, my input is # B3LYP/6-31G(d) FREQ, and the last 5 line of output is:
G2DrvN: will do 22 centers at a time, making 1 passes doing MaxLOS=2.
Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00.
FoFDir/FoFCou used for L=0 through L=2.
End of G2Drv Frequency-dependent properties file 721 does not exist.
End of G2Drv Frequency-dependent properties file 722 does not exist.
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For the CBS-4M problem, the last few lines of output is here:
dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512
defal = T LstWrd = 67072 FType=2 FMxFil=10000
Number 0
Base 20480
End 67072
End1 67072
Wr Pntr 20480
Rd Pntr 20480
Length 46592
Error termination in NtrErr:
NtrErr called from FIOCnC.
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I have tried altering %mem and maxdisk keywords along with maxcyc, nothing have worked so far.
Any clues? thanks a lot
DubaiAmateurRocketry - 18-8-2018 at 00:09
attempting to increase %mem for B3LYP 6-31g(d), generated this error,
Inverted reduced A of dimension 401 with in-core refinement.
Isotropic polarizability for W= 0.000000 94.67 Bohr**3.
End of Minotr Frequency-dependent properties file 721 does not exist.
End of Minotr Frequency-dependent properties file 722 does not exist.
Metacelsus - 18-8-2018 at 14:44
I'm not familiar with those particular error messages. However, if you can you post your input file here, I can try to replicate the issue and work
towards resolving it.
[Edited on 8-18-2018 by Metacelsus]
DubaiAmateurRocketry - 21-8-2018 at 16:42
hey metacelsus do you have skype or discord?
Metacelsus - 21-8-2018 at 18:56
U2U sent.
Metacelsus - 24-8-2018 at 14:01
After communicating with DubaiAmateurRocketry, I have run the calculation in question. No errors appeared, and I still don't know what might have
caused them. I would welcome any insights from others on this forum.