#!/bin/bash
#
# $Id: doqmtests,v 1.63 2008-12-07 19:26:52 jhammond Exp $
#
let np=1
if [[ "$1" == "all" ]]; then
$RUNTESTS procs $np 5h2o_core
$RUNTESTS procs $np acr-camb3lyp-cdfit
$RUNTESTS procs $np acr-camb3lyp-direct
$RUNTESTS procs $np acr_lcblyp
$RUNTESTS procs $np Ar_b2plyp_cc-vqz
$RUNTESTS procs $np Ar_scf-mp2_cc-vqz
$RUNTESTS procs $np auh2o
$RUNTESTS procs $np aump2
$RUNTESTS procs $np autosym
$RUNTESTS procs $np band
$RUNTESTS procs $np be
$RUNTESTS procs $np bf_cis
$RUNTESTS procs $np bq_nio
$RUNTESTS procs $np br2_dk
$RUNTESTS procs $np bsse_dft_trimer
$RUNTESTS procs $np bsse_tce_mult
$RUNTESTS procs $np c2h4
$RUNTESTS procs $np c4h4_wfn
$RUNTESTS procs $np c60_ecp
$RUNTESTS procs $np carbon_fon
$RUNTESTS procs $np ch2_props4_bp
$RUNTESTS procs $np ch3f-lc-wpbe
$RUNTESTS procs $np ch3f-lc-wpbeh
$RUNTESTS procs $np ch3f_notrans_cosmo
$RUNTESTS procs $np ch3f_rot
$RUNTESTS procs $np ch3f_trans
$RUNTESTS procs $np ch3f_trans_cam_nmr
$RUNTESTS procs $np ch3f_trans_cosmo
$RUNTESTS procs $np ch3f_unrot
$RUNTESTS procs $np ch3f_zora_shielding
$RUNTESTS procs $np ch3_m06-hf
$RUNTESTS procs $np ch3_m06-hf
$RUNTESTS procs $np ch3radical_rot
$RUNTESTS procs $np ch3radical_unrot
$RUNTESTS procs $np ch4cl_zts
$RUNTESTS procs $np ch4_zts
$RUNTESTS procs $np ch5n_nbo
$RUNTESTS procs $np ch5n_nbo
$RUNTESTS procs $np cho_bp_props
$RUNTESTS procs $np cho_bp_zora_finite
$RUNTESTS procs $np cnh5_m06-2x
$RUNTESTS procs $np cnh5_m06-2x
$RUNTESTS procs $np co_core
$RUNTESTS procs $np cosmo_cl
$RUNTESTS procs $np cosmo_h2cco2
$RUNTESTS procs $np cosmo_h2cco2mg
$RUNTESTS procs $np cosmo_h2cco2mg_ecp
$RUNTESTS procs $np cosmo_h2cco2na
$RUNTESTS procs $np cosmo_h2o
$RUNTESTS procs $np cosmo_h2o_bq
$RUNTESTS procs $np cosmo_h2o_dft
$RUNTESTS procs $np cosmo_h3co
$RUNTESTS procs $np cosmo_h3co_ecp
$RUNTESTS procs $np cosmo_h3co_gp
$RUNTESTS procs $np cosmo_na
$RUNTESTS procs $np cosmo_nacl
$RUNTESTS procs $np cosmo_trichloroethene
$RUNTESTS procs $np cu2_m06-l
$RUNTESTS procs $np cu2_m06-l
$RUNTESTS procs $np cytosine_ccsd
$RUNTESTS procs $np dft_bsse
$RUNTESTS procs $np dft_bsse_d3
$RUNTESTS procs $np dft_bsse_d3_opt
$RUNTESTS procs $np dft_ch3ochch32
$RUNTESTS procs $np dft_cr2
$RUNTESTS procs $np dft_feco5
$RUNTESTS procs $np dft_he2+
$RUNTESTS procs $np dft_li2freq
$RUNTESTS procs $np dft_m05nh2ch3
$RUNTESTS procs $np dft_m05nh2ch3
$RUNTESTS procs $np dft_meta
$RUNTESTS procs $np dft_mpw1k
$RUNTESTS procs $np dft_mpwb1khf
$RUNTESTS procs $np dft_ozone
$RUNTESTS procs $np dft_s12gh
$RUNTESTS procs $np dft_sicperth2o
$RUNTESTS procs $np dft_siosi3
$RUNTESTS procs $np dft_x
$RUNTESTS procs $np dft_xdm1
$RUNTESTS procs $np dielsalder
$RUNTESTS procs $np disp_dimer_ch4
$RUNTESTS procs $np dmo_tddft_cd
$RUNTESTS procs $np dmo_tddft_cd_velocity
$RUNTESTS procs $np dplot
$RUNTESTS procs $np esp
$RUNTESTS procs $np esp_uhf
$RUNTESTS procs $np etf_hcons
$RUNTESTS procs $np ethane_qmmm
$RUNTESTS procs $np ethanol/ethanol_md
$RUNTESTS procs $np ethanol/ethanol_ti
$RUNTESTS procs $np et_zn_dimer
$RUNTESTS procs $np fh_m06
$RUNTESTS procs $np geom_load_xyz
$RUNTESTS procs $np geom_zmatrix
$RUNTESTS procs $np grad_nh3_trimer
$RUNTESTS procs $np grad_ozone
$RUNTESTS procs $np h2_bnl
$RUNTESTS procs $np h2mp2
$RUNTESTS procs $np h2o
$RUNTESTS procs $np h2o2-prop-notrans
$RUNTESTS procs $np h2o-b3lyp-disp
$RUNTESTS procs $np h2o_bnl
$RUNTESTS procs $np h2o-camb3lyp-pol
$RUNTESTS procs $np h2o-camb3lyp-pol-cdfit
$RUNTESTS procs $np h2o-cambeckehh
$RUNTESTS procs $np h2o-campbe0
$RUNTESTS procs $np h2o_cg_opt
$RUNTESTS procs $np h2o_cg_opt_rob3lyp
$RUNTESTS procs $np h2o_cg_opt_ub3lyp
$RUNTESTS procs $np h2o_cg_to_diag
$RUNTESTS procs $np h2o_cg_to_diag_ub3lyp
$RUNTESTS procs $np h2o_core
$RUNTESTS procs $np h2o_dftmp2_cgmin
$RUNTESTS procs $np h2o_diag_opt
$RUNTESTS procs $np h2o_diag_opt_ub3lyp
$RUNTESTS procs $np h2o_diag_to_cg
$RUNTESTS procs $np h2o_diag_to_cg_ub3lyp
$RUNTESTS procs $np h2o_dk
$RUNTESTS procs $np h2o_frozemb
$RUNTESTS procs $np h2o_hcons
$RUNTESTS procs $np h2o-hse
$RUNTESTS procs $np h2o-lcpbe
$RUNTESTS procs $np h2o-noscf
$RUNTESTS procs $np h2o_opt
$RUNTESTS procs $np h2o_raman_3
$RUNTESTS procs $np h2o_raman_4
$RUNTESTS procs $np h2o-response
$RUNTESTS procs $np h2o_selci
$RUNTESTS procs $np h2o-ssb-d
$RUNTESTS procs $np h2o-ssb-d-b3lyp
$RUNTESTS procs $np h2o-ssb-d-opt
$RUNTESTS procs $np h2o_udftmp2_cgmin
$RUNTESTS procs $np h2o_vscf
$RUNTESTS procs $np h2s_finite
$RUNTESTS procs $np h3_dirdyvtst
$RUNTESTS procs $np h3tr1
$RUNTESTS procs $np He_b2plyp_cc-vqz
$RUNTESTS procs $np He_scf-mp2_cc-vqz
$RUNTESTS procs $np hess_actlist
$RUNTESTS procs $np hess_biph
$RUNTESTS procs $np hess_c6h6
$RUNTESTS procs $np hess_ch4
$RUNTESTS procs $np hess_h2o
$RUNTESTS procs $np hess_nh3
$RUNTESTS procs $np hess_nh3_dimer
$RUNTESTS procs $np hess_nh3_ub3lyp
$RUNTESTS procs $np hi_zora_sf
$RUNTESTS procs $np hi_zora_so
$RUNTESTS procs $np intchk
$RUNTESTS procs $np k6h2o
$RUNTESTS procs $np lys_qmmm
$RUNTESTS procs $np m08hx_ch3
$RUNTESTS procs $np m08hx_h2o
$RUNTESTS procs $np m08so_ch3
$RUNTESTS procs $np m08so_h2o
$RUNTESTS procs $np m11_ch3
$RUNTESTS procs $np m11_h2o
$RUNTESTS procs $np m11-l_ch3
$RUNTESTS procs $np m11-l_h2o
$RUNTESTS procs $np mcscf_ch2
$RUNTESTS procs $np mcscf_ozone
$RUNTESTS procs $np mep-test
$RUNTESTS procs $np mp2_si2h6
$RUNTESTS procs $np n2_ccsd
$RUNTESTS procs $np n2_rodft_lrc
$RUNTESTS procs $np Ne_b2plyp_cc-vqz
$RUNTESTS procs $np neb-fch3cl
$RUNTESTS procs $np neb-isobutene
$RUNTESTS procs $np Ne_scf-mp2_cc-vqz
$RUNTESTS procs $np o2_bnl
$RUNTESTS procs $np o2_hfattn
$RUNTESTS procs $np o2_zora_so
$RUNTESTS procs $np oh2
$RUNTESTS procs $np oniom1
$RUNTESTS procs $np oniom2
$RUNTESTS procs $np oniom3
$RUNTESTS procs $np oniom3
$RUNTESTS procs $np oniom4
$RUNTESTS procs $np paw
$RUNTESTS procs $np pbo_nesc1e
$RUNTESTS procs $np pkzb
$RUNTESTS procs $np prep/aal
$RUNTESTS procs $np prep/bpx
$RUNTESTS procs $np prep/caa
$RUNTESTS procs $np prep/fsc
$RUNTESTS procs $np prop_cg_nh3_b3lyp
$RUNTESTS procs $np prop_ch3f
$RUNTESTS procs $np prop_h2o
$RUNTESTS procs $np prop_uhf_ch3f
$RUNTESTS procs $np prop_uhf_h2o
$RUNTESTS procs $np pspw
$RUNTESTS procs $np pspw_md
$RUNTESTS procs $np pspw_polarizability
$RUNTESTS procs $np pspw_SiC
$RUNTESTS procs $np pspw_stress
$RUNTESTS procs $np ptatom
$RUNTESTS procs $np pyqa3
$RUNTESTS procs $np qmmm_freq
$RUNTESTS procs $np qmmm_grad0
$RUNTESTS procs $np qmmm_opt0
$RUNTESTS procs $np rimp2_he
$RUNTESTS procs $np rimp2_ne
$RUNTESTS procs $np sad_ch3hf
$RUNTESTS procs $np sadsmall
$RUNTESTS procs $np scf_feco5
$RUNTESTS procs $np si2cl6_gc
$RUNTESTS procs $np small_intchk
$RUNTESTS procs $np startag
$RUNTESTS procs $np tagcheck
$RUNTESTS procs $np talc
$RUNTESTS procs $np tce_active_ccsdt
$RUNTESTS procs $np tce_cr_eom_t_ch_rohf
$RUNTESTS procs $np tce_cr_eom_t_ozone
$RUNTESTS procs $np tce_eomsd_eomsol1
$RUNTESTS procs $np tce_eomsd_eomsol2
$RUNTESTS procs $np tce_h2o
$RUNTESTS procs $np tce_h2o_dipole
$RUNTESTS procs $np tce_h2o_eomcc
$RUNTESTS procs $np tce_hyperpolar_ccsd_big
$RUNTESTS procs $np tce_hyperpolar_ccsd_small
$RUNTESTS procs $np tce_lr_ccsd_t
$RUNTESTS procs $np tce_lr_ccsd_tq
$RUNTESTS procs $np tce_ozone_2eorb
$RUNTESTS procs $np tce_polar_ccsd_big
$RUNTESTS procs $np tce_polar_ccsd_small
$RUNTESTS procs $np tce_uhf_uccsd
$RUNTESTS procs $np tce_uracil_creomact
$RUNTESTS procs $np tddft_ac_co
$RUNTESTS procs $np tddft_h2o
$RUNTESTS procs $np tddft_h2o_uhf
$RUNTESTS procs $np tddft_n2+
$RUNTESTS procs $np testtab
$RUNTESTS procs $np trypsin/trypsin_md
$RUNTESTS procs $np tpss
$RUNTESTS procs $np tpssh
$RUNTESTS procs $np tropt-ch3nh2
$RUNTESTS procs $np uo2_sodft
$RUNTESTS procs $np uo2_sodft_grad
$RUNTESTS procs $np uoverlap
$RUNTESTS procs $np u_sodft
$RUNTESTS procs $np vectors_rotate
$RUNTESTS procs $np water/water_md
$RUNTESTS procs $np water/water_pme
$RUNTESTS procs $np xe_zora_sf
else
$RUNTESTS procs $np 						\
	cosmo_h3co dft_he2+ qmmm_grad0				\
	auh2o autosym h2mp2 h2o hess_h2o prop_h2o		\
	geom_zmatrix rimp2_ne small_intchk tagcheck testtab	\
	h2o_dk cosmo_h2o ch5n_nbo h2s_finite			\
	pyqa3 startag esp esp_uhf dft_bsse			\
	dplot_dft dft_meta dft_mpwb1khf prop_uhf_h2o		\
	et_zn_dimer vectors_rotate sad_ch3hf			\
	band pspw pspw_md pspw_stress				\
	mcscf_ch2 dft_li2freq n2_ccsd tce_ccsd_t_h2o		\
	tddft_h2o rt_tddft_dimer_charge				\
	tce_eaccsd_ozone tce_ipccsd_f2				\
	tce_hyperpolar_ccsd_small mp2_scs_n2			\
	tddftgrad_n2_uks tddftgrad_ch2o				\
	water/water_md water/water_pme
# Currently numerical unstable or failing due to other reasons:
# h2o_selci
# tce_cr_eom_t_ch_rohf tce_mrcc_bwcc
# tce_cc2_c2
# qmm_grad0
fi
