[s.rayner@spasrv12 a_t]$ batch_camcasp.py --verbose --scfcode dalton2006 -q bg --direct --nproc 4 Ar2 Ar2_saptdft_scan.clt test.geom
['runcamcasp.py', 'Ar2_1', '-d', 'Ar2_1', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']

Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_1
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_1
See Ar2_1/Ar2_1.clt.clout for output of CLUSTER
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_2', '-d', 'Ar2_2', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4
Namespace(id='', job='Ar2_1', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_1')
Job Ar2_1 starting
  Working directory = /scratch/s.rayner/Ar2_1_18-03-01
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_1
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_1/OUT

Parts: ['A', 'B']

Functional = PBE0
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_1/OUT’
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_2
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_2
See Ar2_2/Ar2_2.clt.clout for output of CLUSTER
Starting processes when load is below 2.82
load 0.79, limit 2.82
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_3', '-d', 'Ar2_3', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']

Number of cpus: 4
Namespace(id='', job='Ar2_2', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_2')
Job Ar2_2 starting
  Working directory = /scratch/s.rayner/Ar2_2_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_2
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_2/OUT

Parts: ['A', 'B']
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_3
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_3
See Ar2_3/Ar2_3.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_2/OUT’
Starting processes when load is below 2.99
load 0.79, limit 2.99
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_4', '-d', 'Ar2_4', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4
Namespace(id='', job='Ar2_3', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_3')
Job Ar2_3 starting
  Working directory = /scratch/s.rayner/Ar2_3_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_3
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_3/OUT

Parts: ['A', 'B']
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_3/OUT’

Starting processes when load is below 2.87
load 0.79, limit 2.87
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_4
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_4
A started
See Ar2_4/Ar2_4.clt.clout for output of CLUSTER
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_5', '-d', 'Ar2_5', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4

Namespace(id='', job='Ar2_4', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_4')
Job Ar2_4 starting
  Working directory = /scratch/s.rayner/Ar2_4_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_4
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_4/OUT

Parts: ['A', 'B']
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_5
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_5
See Ar2_5/Ar2_5.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_4/OUT’
Starting processes when load is below 2.82
load 0.79, limit 2.82
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_6', '-d', 'Ar2_6', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4
Namespace(id='', job='Ar2_5', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_5')
Job Ar2_5 starting
  Working directory = /scratch/s.rayner/Ar2_5_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_5
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_5/OUT

Parts: ['A', 'B']

Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_6
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_5/OUT’
Setting up files in directory Ar2_6
See Ar2_6/Ar2_6.clt.clout for output of CLUSTER
Starting processes when load is below 2.88
load 0.79, limit 2.88
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_7', '-d', 'Ar2_7', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4
Namespace(id='', job='Ar2_6', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_6')
Job Ar2_6 starting
  Working directory = /scratch/s.rayner/Ar2_6_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_6
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_6/OUT

Parts: ['A', 'B']

Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_7
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_6/OUT’
Setting up files in directory Ar2_7
See Ar2_7/Ar2_7.clt.clout for output of CLUSTER
Starting processes when load is below 2.90
load 0.79, limit 2.90
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_8', '-d', 'Ar2_8', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4
Namespace(id='', job='Ar2_7', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_7')
Job Ar2_7 starting
  Working directory = /scratch/s.rayner/Ar2_7_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_7
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_7/OUT

Parts: ['A', 'B']

Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_8
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_8
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_7/OUT’
See Ar2_8/Ar2_8.clt.clout for output of CLUSTER
Starting processes when load is below 3.04
load 0.79, limit 3.04
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_9', '-d', 'Ar2_9', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4

Namespace(id='', job='Ar2_8', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_8')
Job Ar2_8 starting
  Working directory = /scratch/s.rayner/Ar2_8_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_8
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_8/OUT

Parts: ['A', 'B']
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_9
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_9
See Ar2_9/Ar2_9.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_8/OUT’
Starting processes when load is below 3.10
load 0.79, limit 3.10
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_10', '-d', 'Ar2_10', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4
Namespace(id='', job='Ar2_9', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_9')
Job Ar2_9 starting
  Working directory = /scratch/s.rayner/Ar2_9_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_9
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_9/OUT

Parts: ['A', 'B']

cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_9/OUT’
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_10
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_10
See Ar2_10/Ar2_10.clt.clout for output of CLUSTER
Starting processes when load is below 2.87
load 0.79, limit 2.87
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_11', '-d', 'Ar2_11', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4

Namespace(id='', job='Ar2_10', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_10')
Job Ar2_10 starting
  Working directory = /scratch/s.rayner/Ar2_10_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_10
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_10/OUT

Parts: ['A', 'B']
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_11
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_11
See Ar2_11/Ar2_11.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_10/OUT’
Starting processes when load is below 2.87
load 0.79, limit 2.87
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_12', '-d', 'Ar2_12', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4

Namespace(id='', job='Ar2_11', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_11')
Job Ar2_11 starting
  Working directory = /scratch/s.rayner/Ar2_11_18-03-02
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_11
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_11/OUT

Parts: ['A', 'B']
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_12
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_12
See Ar2_12/Ar2_12.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_11/OUT’
Starting processes when load is below 2.94
load 0.79, limit 2.94
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_13', '-d', 'Ar2_13', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4
Namespace(id='', job='Ar2_12', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_12')
Job Ar2_12 starting
  Working directory = /scratch/s.rayner/Ar2_12_18-03-03
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_12
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_12/OUT

Parts: ['A', 'B']

Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_13
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_13
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_12/OUT’
See Ar2_13/Ar2_13.clt.clout for output of CLUSTER
Starting processes when load is below 2.85
load 0.79, limit 2.85
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_14', '-d', 'Ar2_14', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']
Number of cpus: 4

Namespace(id='', job='Ar2_13', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_13')
Job Ar2_13 starting
  Working directory = /scratch/s.rayner/Ar2_13_18-03-03
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_13
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_13/OUT

Parts: ['A', 'B']
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_14
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_14
See Ar2_14/Ar2_14.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_13/OUT’
Starting processes when load is below 2.94
load 0.79, limit 2.94
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_15', '-d', 'Ar2_15', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']

Number of cpus: 4
Namespace(id='', job='Ar2_14', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_14')
Job Ar2_14 starting
  Working directory = /scratch/s.rayner/Ar2_14_18-03-03
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_14
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_14/OUT

Parts: ['A', 'B']
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_15
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_15
See Ar2_15/Ar2_15.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_14/OUT’
Starting processes when load is below 2.87
load 0.79, limit 2.87
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_16', '-d', 'Ar2_16', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']

Number of cpus: 4
Namespace(id='', job='Ar2_15', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_15')
Job Ar2_15 starting
  Working directory = /scratch/s.rayner/Ar2_15_18-03-03
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_15
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_15/OUT

Parts: ['A', 'B']
Functional = PBE0
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_16
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_16
See Ar2_16/Ar2_16.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_15/OUT’
Starting processes when load is below 2.88
load 0.79, limit 2.88
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
['runcamcasp.py', 'Ar2_17', '-d', 'Ar2_17', '--ifexists', 'abort', '-q', 'bg', '--direct', '--scfcode', 'dalton2006', '--nproc', '4', '--verbose']

Functional = PBE0
Number of cpus: 4
kernel =
DALTON CKS:  False
basis = aug-cc-pVTZ  type = mc+
saptdft
basis = aug-cc-pVTZ
basis type = mc+
runtype = saptdft
queue = bg
count = 2
prefix = Ar2_17
scfcode = dalton2006

AC options: type = MULTPOLE, join = TANH, p1 = 3.0, p2 = 4.0
Setting up files in directory Ar2_17
Namespace(id='', job='Ar2_16', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_16')
Job Ar2_16 starting
  Working directory = /scratch/s.rayner/Ar2_16_18-03-03
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_16
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_16/OUT

Parts: ['A', 'B']
See Ar2_17/Ar2_17.clt.clout for output of CLUSTER
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_16/OUT’
Starting processes when load is below 2.76
load 0.79, limit 2.76
A started
This is a SAPT(DFT) calculation with SCF program dalton2006
Mid-bond basis functions will be used

/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
PATH =  /home/s.rayner/psi4conda/bin:/home/s.rayner/bin:/home/alston/CamCASP/current/bin:/home/alston/CamCASP/current/utilities/:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/ajm//nwchem/bin/:/home/alston/NWChem/bin/
Traceback (most recent call last):
  File "/home/alston/CamCASP/current/bin/batch_camcasp.py", line 114, in <module>
    job = args.job+"_"+g[0]
IndexError: list index out of range
[s.rayner@spasrv12 a_t]$ Number of cpus: 4
Namespace(id='', job='Ar2_17', memory='4000', nproc=4, parts=['A', 'B'], save=False, scfcode='dalton2006', scratch='/scratch/s.rayner', verbose=1, work='Ar2_17')
Job Ar2_17 starting
  Working directory = /scratch/s.rayner/Ar2_17_18-03-03
  Main directory    = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_17
  Results directory = /home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_17/OUT

Parts: ['A', 'B']
cp: omitting directory ‘/home/s.rayner/sync_documents/project_computations/argon/a_t/Ar2_17/OUT’
Starting processes when load is below 2.88
load 0.79, limit 2.88
A started
/home/alston/CamCASP/current/bin/dalton2006: 100: /home/alston/CamCASP/current/bin/dalton2006: let: not found
load