EOMCCSDT calculations

How To
#1

I am trying to run EOM-EE-CCSDT calculation for two roots of the same symmetry for CuO anion. I am using 2 Tb disk as scratch space, however, the calculation fails halfway through while calculating EOMCCSDT energies as the whole disk space is utilized (issue might be due to pagefile). Is there a way to know how much the disk space required is reduced using Cholesky? Or is there a way to use another disk if the disk that is initially used is fully utilized?

Qchem input:
$rem
BASIS = gen
CCMAN2 =1
CC_SAVEAMPL = 1
MEM_STATIC = 500
MEM_TOTAL = 64000
CC_SINGLE_PREC = 1
ECP = gen
EE_STATES = [0,0,2,0]
METHOD = EOM-CCSDT
$end

Batch file:
qchem -nt 32 inp.inp out.out

Error message:
Q-Chem fatal error occurred in module /scratch/qcdevops/jenkins/workspace/build_qchem_linux_distrib/tags/qc630/qchem/ccman2/qchem/ccman2_main.C, line 26:

libvmm::fsm_dispatcher::handle_event(), /scratch/qcdevops/jenkins/workspace/build_qchem_linux_distrib/tags/qc630/qchem/libvmm/libvmm/evmm/fsm_dispatcher_impl.h (92), bad_vm_state

#2

Well, you need to refer to the paper on the EOM-CCSDT implementation to figure out the savings with RI/Cholesky approaches. The feature to add another disk is unavailable.

#3

It is possible to utilize several disks at the level of software or hardware RAID if one has the corresponding administrating permissions.

#4

Thank you for your response.

I tried using Cholesky approach, my input looks like this:
$rem
BASIS = gen
SCF_GUESS = READ
CCMAN2 =1
CC_SAVEAMPL = 1
MEM_STATIC = 1000
MEM_TOTAL = 64000
ECP = gen
EE_STATES = [0,0,2,0]
GUI = 0
CHOLESKY_TOL = 4
JOB_TYPE = SP
METHOD = EOM-CCSDT
$end

I get an error in output file as:

Solving for EOMEE-CCSDT B1 singlet states.

Warning! Not enough singles to form guess subspace. Doubles guess vectors will be generated.
In case of poor EOM convergence, reduce requested EE_STATES.

Warning! Not enough singles to form guess subspace. Doubles guess vectors will be generated.
In case of poor EOM convergence, reduce requested EE_STATES.

Is there a way to fix this?