1#!/bin/csh 2# 3# $Id$ 4# 5#--- small tests 6cd ~/nwchem/QA/tests/auh2o 7nwdebug auh2o.nw -queue debug -accnt mp15 -procs 2 -time 1999 8cd ~/nwchem/QA/tests/auh2o 9nwdebug auh2o.nw -queue debug -accnt mp15 -procs 4 -time 1999 10cd ~/nwchem/QA/tests/autosym 11nwdebug autosym.nw -queue debug -accnt mp15 -procs 2 -time 1999 12nwdebug autosym.nw -queue debug -accnt mp15 -procs 4 -time 1999 13cd ~/nwchem/QA/tests/dft_he2+ 14nwdebug dft_he2+.nw -queue debug -accnt mp15 -procs 4 -time 1900 15nwdebug dft_he2+.nw -queue debug -accnt mp15 -procs 16 -time 1900 16cd ~/nwchem/QA/tests/h2mp2 17nwdebug h2mp2.nw -queue debug -accnt mp15 -procs 2 -time 1999 18cd ~/nwchem/QA/tests/h2o 19nwdebug h2o.nw -queue debug -accnt mp15 -procs 2 -time 1999 20cd ~/nwchem/QA/tests/hess_h2o 21nwdebug hess_h2o.nw -queue debug -accnt mp15 -procs 3 -time 1999 22cd ~/nwchem/QA/tests/prop_h2o 23nwdebug prop_h2o.nw -queue debug -accnt mp15 -procs 2 -time 1999 24cd ~/nwchem/QA/tests/pyqa 25nwdebug pyqa.nw -queue debug -accnt mp15 -procs 2 -time 1999 26cd ~/nwchem/QA/tests/rimp2_ne 27nwdebug rimp2_ne.nw -queue debug -accnt mp15 -procs 2 -time 1999 28cd ~/nwchem/QA/tests/sadsmall 29nwdebug sadsmall.nw -queue debug -accnt mp15 -procs 2 -time 1999 30cd ~/nwchem/QA/tests/scf_feco5 31nwdebug scf_feco5.nw -queue debug -accnt mp15 -procs 4 -time 1999 32cd ~/nwchem/QA/tests/small_intchk 33nwdebug small_intchk.nw -queue debug -accnt mp15 -procs 4 -time 1999 34cd ~/nwchem/QA/tests/tagcheck 35nwdebug tagcheck.nw -queue debug -accnt mp15 -procs 2 -time 1999 36cd ~/nwchem/QA/tests/testtab 37nwdebug testtab.nw -queue debug -accnt mp15 -procs 2 -time 1999 38cd ~/nwchem/QA/tests/h2o_dk 39nwdebug startag.nw -queue debug -accnt mp15 -procs 2 -time 1999 40cd ~/nwchem/QA/tests/startag 41nwdebug h2o_dk.nw -queue debug -accnt mp15 -procs 2 -time 1999 42cd ~/nwchem/QA/tests/neda_nbo 43nwdebug neda_nbo.nw -queue debug -accnt mp15 -procs 2 -time 1999 44cd ~/nwchem/QA/tests/ch5n_nbo 45nwdebug ch5n_nbo.nw -queue debug -accnt mp15 -procs 2 -time 1999 46cd ~/nwchem/QA/tests/c4h4_wfn 47nwdebug c4h4_wfn.nw -queue debug -accnt mp15 -procs 2 -time 1999 48#--- small tests that should fail! 49cd ~/nwchem/QA/tests/oh2 50nwdebug oh2.nw -queue debug -accnt mp15 -procs 2 -time 1999 51#--- medium tests 52cd ~/nwchem/QA/tests/dft_feco5 53nwdebug dft_feco5.nw -accnt mp15 -procs 16 -time 3600 54cd ~/nwchem/QA/tests/dft_ozone 55nwdebug dft_ozone.nw -accnt mp15 -procs 2 -time 3600 56cd ~/nwchem/QA/tests/dft_siosi3 57nwdebug dft_siosi3.nw -accnt mp15 -procs 8 -time 3600 58cd ~/nwchem/QA/tests/dielsalder 59nwdebug dielsalder.nw -accnt mp15 -procs 4 -time 3600 60cd ~/nwchem/QA/tests/grad_ozone 61nwdebug grad_ozone.nw -accnt mp15 -procs 3 -time 3600 62cd ~/nwchem/QA/tests/hess_c6h6 63nwdebug hess_c6h6.nw -accnt mp15 -procs 7 -time 3600 64cd ~/nwchem/QA/tests/intchk 65nwdebug intchk.nw -accnt mp15 -procs 5 -time 7200 66cd ~/nwchem/QA/tests/sadbig 67nwdebug sadbig.nw -accnt mp15 -procs 6 -time 3600 68cd ~/nwchem/QA/tests/br2_dk 69nwdebug br2_dk.nw -accnt mp15 -procs 6 -time 3600 70cd ~/nwchem/QA/tests/h2o_vscf 71nwdebug h2o_vscf.nw -accnt mp15 -procs 2 -time 3600 72#--- long may not run on workstations 73cd ~/nwchem/QA/tests/aump2 74nwdebug aump2 .nw -accnt mp15 -procs 64 -time 3600 75cd ~/nwchem/QA/tests/grad_nh3_trimer 76nwdebug grad_nh3_trimer .nw -accnt mp15 -procs 128 -time 3600 77cd ~/nwchem/QA/tests/hess_nh3 78nwdebug hess_nh3.nw -accnt mp15 -procs 72 -time 7200 79cd ~/nwchem/QA/tests/hess_nh3_dimer 80nwdebug hess_nh3_dimer.nw -accnt mp15 -procs 256 -time 14900 81cd ~/nwchem/QA/tests/mp2_si2h6 82nwdebug mp2_si2h6.nw -accnt mp15 -procs 128 -time 7200 83cd ~/nwchem/QA/tests/uoverlap 84nwdebug uoverlap.nw -accnt mp15 -procs 33 -time 3600 85