Hello, my gaussian 09 calculations are stopping in SCF cycles and the is given the following message "traceback is not available". Did one help to solve this?
- End of the output file:
Cycle 25 Pass 1 IDiag 1:
RMSU= 3.34D-08 CP: 1.00D+00 2.57D+00 3.00D+00 3.00D+00
E= -3590.01672224674 Delta-E= -0.000000000420 Rises=F Damp=F
DIIS: error= 2.19D-07 at cycle 25 NSaved= 20.
NSaved=20 IEnMin=20 EnMin= -3590.01672224674 IErMin=20 ErrMin= 2.19D-07
ErrMax= 2.19D-07 0.00D+00 EMaxC= 1.00D+00 BMatC= 1.11D-10 BMatP= 7.33D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.422D-04-0.282D-05 0.142D-03 0.804D-03 0.415D-03-0.653D-03
Coeff-Com: -0.168D-02-0.198D-02-0.244D-02-0.352D-02 0.123D-01 0.189D-01
Coeff-Com: 0.105D-01 0.876D-02-0.560D-01-0.363D+00-0.446D+00-0.594D-01
Coeff-Com: 0.122D+01 0.661D+00
Coeff: -0.422D-04-0.282D-05 0.142D-03 0.804D-03 0.415D-03-0.653D-03
Coeff: -0.168D-02-0.198D-02-0.244D-02-0.352D-02 0.123D-01 0.189D-01
Coeff: 0.105D-01 0.876D-02-0.560D-01-0.363D+00-0.446D+00-0.594D-01
Coeff: 0.122D+01 0.661D+00
Gap= 0.014 Goal= None Shift= 0.000
Gap= 0.007 Goal= None Shift= 0.000
RMSDP=1.28D-07 MaxDP=3.80D-05 DE=-4.20D-10 OVMax= 1.13D-04
Cycle 26 Pass 1 IDiag 1:
RMSU= 8.53D-08 CP: 1.00D+00 3.00D+00 3.00D+00 3.00D+00 2.34D+00
- system error message:
Error: segmentation violation
rax 0000000000000000, rbx ffffffffffffffff, rcx 00001519ef51a40b
rdx 000000000000000f, rsp 00007ffef980a3a8, rbp 00007ffef980a920
rsi 000000000000000b, rdi 0000000000019af6, r8 000015112f4ca000
r9 0000000000000000, r10 000000000040170c, r11 0000000000000202
r12 0000000000000000, r13 0000000000000000, r14 00007ffef980a968
r15 00000000000003e6
--- traceback not available
Aborted (core dumped)
hello sir/mam
this happen for many reason actually , one of the reason behind is that you structure is not appropriately designed it means try to make the bonds between elements correctly, and sometimes if happen when we add chk files in the input file e.g %chk=C:\Users\masbo\Desktop\SafranineNew.chk (remove it). try to optimiz the file first and then go for chk file.
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