Hello,

I am running a fairly large EOM-CC job and it has crashed with an error. I am guessing that I don’t have enough scratch space to finish the calculation (correctly if I am wrong). Is there a way to estimate how much space is needed to complete this job? Thanks

The last few lines of the output with the error

```
34 -1322.39795345 4.46e-12 1.23e-09
35 -1322.39795345 3.79e-12 7.68e-10
------------------------------------------------------------------------------
-1322.39795345 CCSD T converged.
End of double precision
SCF energy = -1320.23983636
MP2 energy = -1322.35147842
CCSD correlation energy = -2.15811709
CCSD total energy = -1322.39795345
CCSD T1^2 = 0.0307 T2^2 = 0.8579 Leading amplitudes:
Amplitude Orbitals with energies
-0.0278 62 (A) A -> 65 (A) A
-0.2242 0.0160
-0.0148 56 (A) A -> 94 (A) A
-0.4268 0.1365
0.0146 62 (A) A -> 72 (A) A
-0.2242 0.0467
0.0145 62 (A) A -> 69 (A) A
-0.2242 0.0407
Amplitude Orbitals with energies
0.0287 58 (A) A 58 (A) B -> 85 (A) A 85 (A) B
-0.3390 -0.3391 0.1055 0.1063
-0.0287 58 (A) A 58 (A) B -> 85 (A) B 85 (A) A
-0.3390 -0.3391 0.1063 0.1055
-0.0287 58 (A) B 58 (A) A -> 85 (A) A 85 (A) B
-0.3391 -0.3390 0.1055 0.1063
0.0287 58 (A) B 58 (A) A -> 85 (A) B 85 (A) A
-0.3391 -0.3390 0.1063 0.1055
Computing CCSD intermediates for later calculations in double precision
Q-Chem fatal error occurred in module /path/trunk-12072023/ccman2/qchem/ccman2_main.C, line 26:
libvmm::page_file_posix<T>::advance(size_t, pos_t&), /path/trunk-12072023/libvmm/libvmm/page_file_posix.C (99), io_exception
fseek (Invalid argument)
Please submit a crash report at q-chem.com/reporter
```

The computer on which the job crashed has 8.6 TiB of scratch space.

The input file

```
$comment
Cis isomer (rings on the same side on NN but it's a non-planar structure)
EOM-EA-CCSD/cc-pVDZ opt for the 1A' state starting from a charge +1 singlet
Neutral doublet reference for an EOM-EE job.
$end
$molecule
0 2
C 2.6781911187 -1.7756773868 -1.2763959690
C 2.4057235373 -0.4046638393 -1.1512733827
C 3.4588997986 -2.4380817126 -0.3118390466
C 3.9917334619 -1.7144238678 0.7690647817
C 3.7479526134 -0.3358675487 0.8827525478
C 2.9263566315 0.3099010754 -0.0563771273
N 2.7996008146 1.7528834600 0.0526783944
N 1.6825562332 2.3225413788 0.0523575229
C 0.4341513897 1.5835562463 0.0752758955
C -0.5897558499 2.0732921462 -0.7541272382
C -1.8560458532 1.4742368630 -0.7567668371
C -2.1528722867 0.4053131171 0.1236385311
C -1.1297503516 -0.0370198315 0.9989495106
C 0.1475839200 0.5360767829 0.9720632202
H 2.2747285899 -2.3305092641 -2.1309847067
H 1.7914396841 0.1112218491 -1.8961246432
H 3.6619771828 -3.5101034326 -0.4104190551
H 4.6149450286 -2.2194968328 1.5156033542
H 4.1824488983 0.2511047765 1.6992698212
H -0.3735716924 2.9261719430 -1.4075532441
H -2.6441103785 1.8434881736 -1.4229081613
H -1.3553981905 -0.8449428646 1.7044090349
H 0.9173910708 0.1730687125 1.6600598445
O -3.3697643668 -0.1613755506 0.1412332454
Ca -5.2816560827 -1.0567832255 0.1711274484
$end
$rem
! convergence
scf_convergence = 9
cc_convergence = 10
eom_davidson_conv = 10
! method
method = eom-ccsd
ee_states = [9]
! basis
basis = aug-cc-pVDZ
! EOM properties
cc_eom_prop = true
cc_eom_prop_te = true
state_analysis = true
! Transition properties
cc_trans_prop = 1 ! 1: ccsd ref -> others
nto_pairs = 2
molden_format = true
wfa_orb_thresh = 1
! memory
mem_total = 201840
cc_memory = 161472
$end
```