mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-21 06:25:21 -04:00
84 lines
3.5 KiB
Tcsh
Executable file
84 lines
3.5 KiB
Tcsh
Executable file
#!/bin/csh
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#
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# $Id$
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#
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#--- small tests
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cd ~/nwchem/QA/tests/auh2o
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nwdebug auh2o.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/auh2o
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nwdebug auh2o.nw -queue debug -accnt mp15 -procs 4 -time 1999
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cd ~/nwchem/QA/tests/autosym
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nwdebug autosym.nw -queue debug -accnt mp15 -procs 2 -time 1999
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nwdebug autosym.nw -queue debug -accnt mp15 -procs 4 -time 1999
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cd ~/nwchem/QA/tests/dft_he2+
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nwdebug dft_he2+.nw -queue debug -accnt mp15 -procs 4 -time 1900
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nwdebug dft_he2+.nw -queue debug -accnt mp15 -procs 16 -time 1900
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cd ~/nwchem/QA/tests/h2mp2
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nwdebug h2mp2.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/h2o
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nwdebug h2o.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/hess_h2o
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nwdebug hess_h2o.nw -queue debug -accnt mp15 -procs 3 -time 1999
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cd ~/nwchem/QA/tests/prop_h2o
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nwdebug prop_h2o.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/pyqa
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nwdebug pyqa.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/rimp2_ne
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nwdebug rimp2_ne.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/sadsmall
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nwdebug sadsmall.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/scf_feco5
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nwdebug scf_feco5.nw -queue debug -accnt mp15 -procs 4 -time 1999
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cd ~/nwchem/QA/tests/small_intchk
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nwdebug small_intchk.nw -queue debug -accnt mp15 -procs 4 -time 1999
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cd ~/nwchem/QA/tests/tagcheck
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nwdebug tagcheck.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/testtab
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nwdebug testtab.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/h2o_dk
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nwdebug startag.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/startag
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nwdebug h2o_dk.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/neda_nbo
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nwdebug neda_nbo.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/ch5n_nbo
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nwdebug ch5n_nbo.nw -queue debug -accnt mp15 -procs 2 -time 1999
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cd ~/nwchem/QA/tests/c4h4_wfn
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nwdebug c4h4_wfn.nw -queue debug -accnt mp15 -procs 2 -time 1999
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#--- small tests that should fail!
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cd ~/nwchem/QA/tests/oh2
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nwdebug oh2.nw -queue debug -accnt mp15 -procs 2 -time 1999
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#--- medium tests
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cd ~/nwchem/QA/tests/dft_feco5
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nwdebug dft_feco5.nw -accnt mp15 -procs 16 -time 3600
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cd ~/nwchem/QA/tests/dft_ozone
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nwdebug dft_ozone.nw -accnt mp15 -procs 2 -time 3600
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cd ~/nwchem/QA/tests/dft_siosi3
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nwdebug dft_siosi3.nw -accnt mp15 -procs 8 -time 3600
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cd ~/nwchem/QA/tests/dielsalder
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nwdebug dielsalder.nw -accnt mp15 -procs 4 -time 3600
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cd ~/nwchem/QA/tests/grad_ozone
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nwdebug grad_ozone.nw -accnt mp15 -procs 3 -time 3600
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cd ~/nwchem/QA/tests/hess_c6h6
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nwdebug hess_c6h6.nw -accnt mp15 -procs 7 -time 3600
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cd ~/nwchem/QA/tests/intchk
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nwdebug intchk.nw -accnt mp15 -procs 5 -time 7200
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cd ~/nwchem/QA/tests/sadbig
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nwdebug sadbig.nw -accnt mp15 -procs 6 -time 3600
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cd ~/nwchem/QA/tests/br2_dk
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nwdebug br2_dk.nw -accnt mp15 -procs 6 -time 3600
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cd ~/nwchem/QA/tests/h2o_vscf
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nwdebug h2o_vscf.nw -accnt mp15 -procs 2 -time 3600
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#--- long may not run on workstations
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cd ~/nwchem/QA/tests/aump2
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nwdebug aump2 .nw -accnt mp15 -procs 64 -time 3600
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cd ~/nwchem/QA/tests/grad_nh3_trimer
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nwdebug grad_nh3_trimer .nw -accnt mp15 -procs 128 -time 3600
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cd ~/nwchem/QA/tests/hess_nh3
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nwdebug hess_nh3.nw -accnt mp15 -procs 72 -time 7200
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cd ~/nwchem/QA/tests/hess_nh3_dimer
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nwdebug hess_nh3_dimer.nw -accnt mp15 -procs 256 -time 14900
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cd ~/nwchem/QA/tests/mp2_si2h6
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nwdebug mp2_si2h6.nw -accnt mp15 -procs 128 -time 7200
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cd ~/nwchem/QA/tests/uoverlap
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nwdebug uoverlap.nw -accnt mp15 -procs 33 -time 3600
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