Dear Support

I was running a eom-sf-ccsd job using complex basis function using the below input file

$molecule

1 1

O 0.0000 0.0000 0.0000

N 0.0000 0.0000 1.1451

$end

$rem

METHOD hf

unrestricted false

BASIS aug-cc-pVTZ

SCF_CONVERGENCE 7

SCF_GUESS CORE

SCF_ALGORITHM DIIS

$end

@@@

$molecule

0 4

O 0.0000 0.0000 0.0000

N 0.0000 0.0000 1.1451

$end

$rem

BASIS gen

complex_theta = 10

METHOD eom-ccsd

SF_STATES [5,0,0,0]

SCF_CONVERGENCE = 8

CC_CONVERGENCE = 7

eom_davidson_convergence = 7

eom_davidson_maxvectors = 300

eom_davidson_max_iter = 350

complex_ccman 1

cs_ccsd 1

complex_exponents 1

complex_scf 3

complex_metscf 1

complex_basis gen

complex_scf_guess 1

cc_max_iter = 350

! thresh = 13

MAX_SCF_CYCLES 300

CC_TRANS_PROP = true

CC_EOM_PROP_TE = 1

CC_REF_PROP_TE = 1

unrestricted false

SCF_ALGORITHM DIIS

SCF_GUESS READ

! eom_shift = 1580

! mem_total 50000

! cc_memory 40000

! mem_static 2000

! MEM_TOTAL = 100000

! CC_MEMORY = 50000

$end

$complex_ccman

cs_alpha 1000

cs_theta 0

$end

I got this error just after ccman2 step

Q-Chem fatal error occurred in module libmdc/newfileman.C, line 376:

FileMan error: End of file reached prematurely reading (107648) bytes in file UNKNOWN FILE

Path: /state/partition1/qchem279851/2061.0

Please submit a crash report at Q-Chem Crash Reporter

I have submitted the job in a 40 core cpu with 172 GB RAM (TOT MEM). Can anyone have any idea regarding this problem.

Thanks

Abhisek