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! STEOM-DLPNO-CCSD tightPNO RIJK def2-TZVP def2/JK def2-TZVP/C tightSCF noautostart miniprint nopop
%maxcore 3000
%pal nprocs 30 end
%cpcm
smd true
SMDsolvent "methanol"
end
%mdci
nroots 6
DoTriplet false
end
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[file orca_mdci/mdci_rhf_dlpno_eom.cpp, line 3718, Process 29]: Error (ORCA_MDCI): Solution of the IP-EOM-DLPNO-CCSD equations failed.
[file orca_mdci/mdci_rhf_dlpno_eom.cpp, line 3718, Process 1]: Error (ORCA_MDCI): Solution of the IP-EOM-DLPNO-CCSD equations failed.
[file orca_mdci/mdci_rhf_dlpno_eom.cpp, line 3718, Process 3]: Error (ORCA_MDCI): Solution of the IP-EOM-DLPNO-CCSD equations failed.
[file orca_mdci/mdci_rhf_dlpno_eom.cpp, line 3718, Process 5]: Error (ORCA_MDCI): Solution of the IP-EOM-DLPNO-CCSD equations failed.
[file orca_mdci/mdci_rhf_dlpno_eom.cpp, line 3718, Process 7]: Error (ORCA_MDCI): Solution of the IP-EOM-DLPNO-CCSD equations failed.
[file orca_mdci/mdci_rhf_dlpno_eom.cpp, line 3718, Process 14]: Error (ORCA_MDCI): Solution of the IP-EOM-DLPNO-CCSD equations failed.
ORCA finished by error termination in MDCI
Calling Command: mpirun -np 30 /public1/soft/orca/orca_5_0_2_linux_x86-64_shared_openmpi411/orca_mdci_mpi 1.mdciinp.tmp 1
[file orca_tools/qcmsg.cpp, line 465]:
.... aborting the run