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https://github.com/nwchemgit/nwchem.git
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97f303e6f8
automatically be expanded to include useful information about the checkin (including the file's revision number). With the switch over to SVN this was lost because SVN only does this expansion if you explicitly ask for it (for every single file). I have added a script to the contrib directory that sets the appropriate property to get SVN to do this expansion. This script will make it easy to do this every time new source files are added. It is called svn_expand_Id, the script contains some comments that explain the issue and how it addresses this. This checkin sets this property for a subset of the relevant files (trying to commit all files at once failed with svn crashing). In future the script will only affect those files for which the property was not set before.
82 lines
3.4 KiB
Tcsh
Executable file
82 lines
3.4 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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#--- 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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