1#!/bin/csh -f
2#
3# $Id$
4#
5#---   small tests
6set np = 1
7if ($1 !="") then
8set np = $1
9endif
10./runtests.tcg5.unix procs $np auh2o autosym dft_he2+ h2mp2 h2o hess_h2o prop_h2o pyqa
11./runtests.tcg5.unix procs $np geom_zmatrix rimp2_ne  scf_feco5 small_intchk tagcheck testtab
12./runtests.tcg5.unix procs $np h2o_dk u_sodft cosmo_h2o ch5n_nbo h2s_finite startag
13./runtests.tcg5.unix procs $np cosmo_trichloroethene esp esp_uhf dft_bsse c4h4_wfn
14./runtests.tcg5.unix procs $np dplot dft_meta prop_uhf_h2o dft_s12gh
15./runtests.tcg5.unix procs $np et_zn_dimer vectors_rotate sad_ch3hf
16
17#---   small tests that should fail!
18echo ' '
19echo 'The oh2 test is testing the perl parsing script and SHOULD fail'
20./runtests.tcg5.unix procs $np oh2
21#---   medium tests
22./runtests.tcg5.unix procs $np dft_feco5
23./runtests.tcg5.unix procs $np dft_siosi3
24./runtests.tcg5.unix procs $np dft_x
25./runtests.tcg5.unix procs $np dft_mpw1k dft_li2freq
26echo 'The intermediate values for this test may cause some differences.'
27echo 'Please check the final values for the last optimized structure.'
28./runtests.tcg5.unix procs $np dielsalder
29echo 'The intermediate energy values for the numerical gradient '
30echo 'test may cause some differences.'
31echo 'Please check the final gradient values for correctness.'
32./runtests.tcg5.unix procs $np grad_ozone
33./runtests.tcg5.unix procs $np dft_ozone
34./runtests.tcg5.unix procs $np hess_c6h6
35./runtests.tcg5.unix procs $np intchk
36echo 'The intermediate values for this test may cause some differences.'
37echo 'Please check the final values for the last optimized structure.'
38./runtests.tcg5.unix procs $np sadsmall
39#./runtests.tcg5.unix procs $np sadbig
40./runtests.tcg5.unix procs $np br2_dk
41./runtests.tcg5.unix procs $np uo2_sodft
42./runtests.tcg5.unix procs $np uo2_sodft_grad
43./runtests.tcg5.unix procs $np si2cl6_gc
44./runtests.tcg5.unix procs $np pspw
45./runtests.tcg5.unix procs $np pspw_SiC
46./runtests.tcg5.unix procs $np pspw_md
47./runtests.tcg5.unix procs $np paw
48./runtests.tcg5.unix procs $np pspw_polarizability
49./runtests.tcg5.unix procs $np pspw_stress
50./runtests.tcg5.unix procs $np band
51./runtests.tcg5.unix procs $np tddft_h2o
52./runtests.tcg5.unix procs $np tddft_n2+
53./runtests.tcg5.unix procs $np tce_h2o
54./runtests.tcg5.unix procs $np tce_h2o_dipole
55./runtests.tcg5.unix procs $np tce_h2o_eomcc
56./runtests.tcg5.unix procs $np tce_uhf_uccsd
57./runtests.tcg5.unix procs $np tce_polar_ccsd_small
58./runtests.tcg5.unix procs $np tce_hyperpolar_ccsd_small
59./runtests.tcg5.unix procs $np oniom1
60./runtests.tcg5.unix procs $np c60_ecp
61./runtests.tcg5.unix procs $np h2o_vscf
62
63# qmmm tests
64./runtests.tcg5.unix procs $np asa_qmmm
65./runtests.tcg5.unix procs $np ethane_qmmm
66
67# newproperty tests
68./runtests.tcg5.unix procs $np prop_ch3f prop_uhf_ch3f
69
70
71#---   long  may not run on workstations
72./runtests.tcg5.unix procs $np aump2
73./runtests.tcg5.unix procs $np n2_ccsd
74./runtests.tcg5.unix procs $np uoverlap
75./runtests.tcg5.unix procs $np grad_nh3_trimer
76./runtests.tcg5.unix procs $np hess_nh3
77./runtests.tcg5.unix procs $np hess_nh3_dimer
78./runtests.tcg5.unix procs $np hess_actlist
79./runtests.tcg5.unix procs $np mp2_si2h6
80./runtests.tcg5.unix procs $np pbo_nesc1e
81./runtests.tcg5.unix procs $np bf_cis
82./runtests.tcg5.unix procs $np oniom3
83./runtests.tcg5.unix procs $np cytosine_ccsd
84./runtests.tcg5.unix procs $np h2o_selci
85echo 'This test requires 16 processors to run quickly'
86./runtests.tcg5.unix procs $np tce_polar_ccsd_big
87#
88#--- range-separated functionals tests
89./runtests.mpi.unix procs $1 acr-camb3lyp-cdfit
90./runtests.mpi.unix procs $1 acr-camb3lyp-direct
91./runtests.mpi.unix procs $1 acr_lcblyp
92./runtests.mpi.unix procs $1 h2_bnl
93./runtests.mpi.unix procs $1 h2o_bnl
94./runtests.mpi.unix procs $1 h2o-camb3lyp-pol-cdfit
95./runtests.mpi.unix procs $1 h2o-camb3lyp-pol
96./runtests.mpi.unix procs $1 h2o-cambeckehh
97./runtests.mpi.unix procs $1 h2o-campbe0
98./runtests.mpi.unix procs $1 h2o-lcpbe
99./runtests.mpi.unix procs $1 o2_bnl
100./runtests.mpi.unix procs $1 o2_hfattn
101#
102#--- dft + dispersion tests
103./runtests.mpi.unix procs $1 disp_dimer_ch4
104#
105#--- double hybrid and SCS-MP2 tests
106./runtests.mpi.unix procs $1 Ne_scf-mp2_cc-vqz
107./runtests.mpi.unix procs $1 He_scf-mp2_cc-vqz
108./runtests.mpi.unix procs $1 Ar_scf-mp2_cc-vqz
109./runtests.mpi.unix procs $1 Ne_b2plyp_cc-vqz
110./runtests.mpi.unix procs $1 He_b2plyp_cc-vqz
111./runtests.mpi.unix procs $1 Ar_b2plyp_cc-vqz
112./runtests.mpi.unix procs $1 Ne_scs-mp2_cc-vqz
113./runtests.mpi.unix procs $1 He_scs-mp2_cc-vqz
114./runtests.mpi.unix procs $1 Ar_scs-mp2_cc-vqz
115./runtests.mpi.unix procs $1 h2o_dftmp2_cgmin h2o_udftmp2_cgmin
116#
117#--- cdspectrum tests
118./runtests.mpi.unix procs $1 dmo_tddft_cd
119#
120#--- spherical atom symmetry test
121./runtests.mpi.unix procs $1 ptatom
122