ORCA error: FATAL ERROR ENCOUNTERED!!! !!! CANNOT OPEN FILE !!! !!! Filename: Gaacac_geo_opt_property.txt

[usman ul muazzam]

Hi,

I'm trying to optimize geometry of Ga(acac)3 (Ga(O2C5H7)3) using ORCA 4.2.1 , three days back it was running fine but my system got shutdown because of some problem. Today I was running the same input file which gives me the following error:


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!! FATAL ERROR ENCOUNTERED !!!
!!! ----------------------- !!!
!!! CANNOT OPEN FILE !!!
!!! Filename: Gaacac_geo_opt_property.txt !!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

I have then changes and tried with the methane molecule ( just to check if its working fine) I got similar error by running the input file for geometry optimization of CH4 molecule. Please find the input file code:

# avogadro generated ORCA input file
# Basic Mode
# acac_opt
! RKS B3LYP/G SV(P) TightSCF Opt PAL4

%output
PrintLevel Normal
Print[P_Basis]2
Print[P_MOs]1
end

* xyz 0 1
Ga -0.22714 -0.02406 0.00000
O 0.13745 1.65347 -0.00000
O -1.40049 1.36823 0.00000
O -1.78265 -0.76815 -0.00000
O -0.53618 -1.68413 0.00000
O 1.20723 -1.08543 0.00000
O 1.49415 0.31450 0.00000
C -2.04427 2.76678 0.00000
C -0.39451 3.24796 0.00000
C -1.82908 4.28250 0.00000
C 3.21584 0.16841 0.00000
C 2.90501 -1.41948 0.00000
C 4.41131 -0.81801 0.00000
C -2.88110 -1.78036 0.00000
C -1.63781 -2.83896 0.00000
C -3.26366 -3.24796 0.00000
C 3.39131 -2.65349 -0.00000
H 2.58352 -3.35519 -0.00000
H 3.99136 -2.80039 0.87365
H 3.99136 -2.80039 -0.87365
C 4.28017 1.11860 0.00000
H 3.87440 2.10867 0.00000
H 4.88216 0.97986 -0.87365
H 4.88216 0.97986 0.87365
C -1.26918 -4.20530 0.00000
H -0.20230 -4.28689 0.00000
H -1.66327 -4.68104 -0.87365
H -1.66327 -4.68104 0.87365
C -4.22404 -1.53142 -0.00000
H -4.39085 -0.47450 -0.00000
H -4.66667 -1.96236 0.87365
H -4.66667 -1.96236 -0.87365
C -3.43127 2.90915 0.00000
H -3.88908 1.94203 0.00000
H -3.73457 3.44733 -0.87365
H -3.73457 3.44733 0.87365
C 0.48520 4.36645 0.00000
H 1.55370 4.16519 0.00000
H 0.34285 5.07275 0.87365
H 0.34285 5.07275 -0.87365
H -2.06230 5.39284 0.00000
H -3.91174 -4.15756 -0.00000
H 5.50535 -0.91069 0.00000
*
Now, when I am running it again and its running fine. I have not done anything. Do anybody knows what was wrong with it. Could anyone please help me by explaining the reason behind.

Thanks

Regards
Usman