1#!/usr/bin/env bash -f
2#
3# $Id: doqmtests.mpi 25922 2014-07-18 22:40:13Z edo $
4#
5./runtests.mpi.unix_bash h2o_opt
6./runtests.mpi.unix_bash c2h4
7./runtests.mpi.unix_bash auh2o
8./runtests.mpi.unix_bash autosym
9./runtests.mpi.unix_bash dft_he2+
10./runtests.mpi.unix_bash h2mp2
11./runtests.mpi.unix_bash h2o
12./runtests.mpi.unix_bash hess_h2o
13./runtests.mpi.unix_bash prop_h2o
14./runtests.mpi.unix_bash pyqa3
15./runtests.mpi.unix_bash geom_zmatrix
16./runtests.mpi.unix_bash rimp2_ne
17./runtests.mpi.unix_bash rimp2_he
18./runtests.mpi.unix_bash scf_feco5
19./runtests.mpi.unix_bash small_intchk
20./runtests.mpi.unix_bash tagcheck
21./runtests.mpi.unix_bash testtab
22./runtests.mpi.unix_bash h2o_dk
23./runtests.mpi.unix_bash u_sodft
24./runtests.mpi.unix_bash cosmo_h2o
25./runtests.mpi.unix_bash ch5n_nbo
26./runtests.mpi.unix_bash h2s_finite
27./runtests.mpi.unix_bash startag
28./runtests.mpi.unix_bash cosmo_na
29./runtests.mpi.unix_bash cosmo_cl
30./runtests.mpi.unix_bash cosmo_nacl
31./runtests.mpi.unix_bash cosmo_h2o_dft
32./runtests.mpi.unix_bash cosmo_h2o_bq
33./runtests.mpi.unix_bash be dft_s12gh
34./runtests.mpi.unix_bash cosmo_trichloroethene
35./runtests.mpi.unix_bash esp esp_uhf
36./runtests.mpi.unix_bash dft_bsse
37./runtests.mpi.unix_bash dft_bsse_d3
38./runtests.mpi.unix_bash dft_bsse_d3_opt
39./runtests.mpi.unix_bash bsse_dft_trimer
40./runtests.mpi.unix_bash bsse_tce_mult
41./runtests.mpi.unix_bash c4h4_wfn
42./runtests.mpi.unix_bash cosmo_h2cco2
43./runtests.mpi.unix_bash cosmo_h2cco2mg
44./runtests.mpi.unix_bash cosmo_h2cco2mg_ecp
45./runtests.mpi.unix_bash cosmo_h3co
46./runtests.mpi.unix_bash cosmo_h3co_ecp
47./runtests.mpi.unix_bash cosmo_h2cco2na
48./runtests.mpi.unix_bash cosmo_h3co_gp
49./runtests.mpi.unix_bash dplot
50./runtests.mpi.unix_bash dft_meta
51./runtests.mpi.unix_bash dft_mpwb1khf
52./runtests.mpi.unix_bash dft_m05nh2ch3
53./runtests.mpi.unix_bash prop_uhf_h2o
54./runtests.mpi.unix_bash et_zn_dimer
55./runtests.mpi.unix_bash vectors_rotate
56./runtests.mpi.unix_bash sad_ch3hf
57./runtests.mpi.unix_bash h2o_diag_to_cg
58./runtests.mpi.unix_bash h2o_cg_to_diag
59./runtests.mpi.unix_bash h2o_diag_opt
60./runtests.mpi.unix_bash h2o_cg_opt
61./runtests.mpi.unix_bash h2o_diag_opt_ub3lyp
62./runtests.mpi.unix_bash h2o_cg_opt_ub3lyp
63./runtests.mpi.unix_bash h2o_cg_opt_rob3lyp
64./runtests.mpi.unix_bash h2o_diag_to_cg_ub3lyp
65./runtests.mpi.unix_bash h2o_cg_to_diag_ub3lyp
66#
67#---   small tests that should fail!
68echo ' '
69echo 'The oh2 test is testing the perl parsing script and SHOULD fail'
70./runtests.mpi.unix_bash  oh2
71#
72#---   medium tests
73./runtests.mpi.unix_bash dft_feco5
74./runtests.mpi.unix_bash dft_siosi3
75./runtests.mpi.unix_bash dft_cr2
76./runtests.mpi.unix_bash dft_x
77./runtests.mpi.unix_bash dft_mpw1k
78./runtests.mpi.unix_bash dft_li2freq
79echo 'The intermediate values for this test may cause some differences.'
80echo 'Please check the final values for the last optimized structure.'
81./runtests.mpi.unix_bash dielsalder
82echo 'The intermediate energy values for the numerical gradient '
83echo 'test may cause some differences.'
84echo 'Please check the final gradient values for correctness.'
85./runtests.mpi.unix_bash grad_ozone
86./runtests.mpi.unix_bash dft_ozone
87./runtests.mpi.unix_bash hess_c6h6
88./runtests.mpi.unix_bash hess_nh3_ub3lyp
89./runtests.mpi.unix_bash intchk
90echo 'The intermediate values for this test may cause some differences.'
91echo 'Please check the final values for the last optimized structure.'
92./runtests.mpi.unix_bash sadsmall
93#
94#./runtests.mpi.unix_bash procs $np sadbig
95./runtests.mpi.unix_bash  br2_dk
96./runtests.mpi.unix_bash  uo2_sodft
97./runtests.mpi.unix_bash  uo2_sodft_grad
98./runtests.mpi.unix_bash  si2cl6_gc
99./runtests.mpi.unix_bash  pspw
100./runtests.mpi.unix_bash  pspw_SiC
101./runtests.mpi.unix_bash  pspw_md
102./runtests.mpi.unix_bash  paw
103./runtests.mpi.unix_bash  pspw_polarizability
104./runtests.mpi.unix_bash  pspw_stress
105./runtests.mpi.unix_bash  band
106./runtests.mpi.unix_bash  pspw_blyp_h2o
107./runtests.mpi.unix_bash  pspw_vs98_h2o
108./runtests.mpi.unix_bash  pspw_revpbe_h2o
109./runtests.mpi.unix_bash  pspw_pbesol_h2o
110./runtests.mpi.unix_bash  pspw_pbe0_h2o
111./runtests.mpi.unix_bash  pspw_hse_h2o
112./runtests.mpi.unix_bash  pspw_tpss03_h2o
113./runtests.mpi.unix_bash  pspw_scan_h2o
114./runtests.mpi.unix_bash  pspw_acm_h2o
115./runtests.mpi.unix_bash  pspw_becke97_h2o
116./runtests.mpi.unix_bash  pspw_becke98_h2o
117./runtests.mpi.unix_bash  pspw_hcth120_h2o
118./runtests.mpi.unix_bash  pspw_hcth147_h2o
119./runtests.mpi.unix_bash  pspw_hcth407_h2o
120./runtests.mpi.unix_bash  pspw_hcth_h2o
121./runtests.mpi.unix_bash  pspw_mpw1k_h2o
122./runtests.mpi.unix_bash  pspw_sogga_h2o
123./runtests.mpi.unix_bash  pspw_sogga11-x_h2o
124./runtests.mpi.unix_bash  pspw_b3lyp_h2o
125./runtests.mpi.unix_bash  pspw_beef_h2o
126./runtests.mpi.unix_bash  tddft_h2o
127./runtests.mpi.unix_bash  tddft_h2o_uhf
128./runtests.mpi.unix_bash  tddft_h2o_mxvc20
129./runtests.mpi.unix_bash  tddft_h2o_uhf_mxvc20
130./runtests.mpi.unix_bash  tddft_n2+
131./runtests.mpi.unix_bash  tddft_ac_co
132./runtests.mpi.unix_bash  dft_xdm1
133./runtests.mpi.unix_bash  tce_h2o
134./runtests.mpi.unix_bash  tce_h2o_dipole
135./runtests.mpi.unix_bash  tce_h2o_eomcc
136./runtests.mpi.unix_bash  tce_uhf_uccsd
137./runtests.mpi.unix_bash  tce_cr_eom_t_ch_rohf
138./runtests.mpi.unix_bash  tce_cr_eom_t_ozone
139./runtests.mpi.unix_bash  tce_active_ccsdt
140./runtests.mpi.unix_bash  tce_lr_ccsd_t
141./runtests.mpi.unix_bash  tce_lr_ccsd_tq
142./runtests.mpi.unix_bash  tce_ozone_2eorb
143./runtests.mpi.unix_bash  tce_polar_ccsd_small
144./runtests.mpi.unix_bash  tce_hyperpolar_ccsd_small
145./runtests.mpi.unix_bash  tce_eomsd_eomsol1
146./runtests.mpi.unix_bash  tce_eomsd_eomsol2
147./runtests.mpi.unix_bash  tce_uracil_creomact
148./runtests.mpi.unix_bash  li2h2_tce_ccsd
149