comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-28 14:15:30 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

add tce_h2o_ccsd_t test, use MPI, exit after simple tests

Browse source
This commit is contained in:
Jeff Hammond 2015-07-06 00:20:48 +00:00
parent 7a76a106d9
commit b9dfc55a08
1 changed files with 18 additions and 16 deletions
Download patch file Download diff file Expand all files Collapse all files

34
QA/dotcetests
View file

@ -6,20 +6,22 @@ set np = 1
if ($1 !="") then
set np = $1
endif
./runtests.unix procs $np tce_h2o
./runtests.unix procs $np tce_h2o_dipole
./runtests.unix procs $np tce_h2o_eomcc
./runtests.unix procs $np tce_uhf_uccsd
./runtests.unix procs $np tce_rohf_uccsd
./runtests.unix procs $np tce_cr_eom_t_ch_rohf
./runtests.unix procs $np tce_cr_eom_t_ozone
./runtests.unix procs $np tce_active_ccsdt
./runtests.unix procs $np tce_lr_ccsd_t
./runtests.unix procs $np tce_lr_ccsd_tq
./runtests.unix procs $np tce_ozone_2eorb
./runtests.unix procs $np tce_polar_ccsd_small
./runtests.unix procs $np tce_hyperpolar_ccsd_small
./runtests.unix procs $np tce_eomsd_eomsol1
./runtests.unix procs $np tce_eomsd_eomsol2
./runtests.unix procs $np tce_uracil_creomact
./runtests.mpi.unix procs $np tce_h2o
./runtests.mpi.unix procs $np tce_ccsd_t_h2o
./runtests.mpi.unix procs $np tce_uhf_uccsd
./runtests.mpi.unix procs $np tce_ozone_2eorb
./runtests.mpi.unix procs $np tce_h2o_dipole
./runtests.mpi.unix procs $np tce_h2o_eomcc
exit
./runtests.mpi.unix procs $np tce_polar_ccsd_small
./runtests.mpi.unix procs $np tce_hyperpolar_ccsd_small
./runtests.mpi.unix procs $np tce_rohf_uccsd
./runtests.mpi.unix procs $np tce_active_ccsdt
./runtests.mpi.unix procs $np tce_lr_ccsd_t
./runtests.mpi.unix procs $np tce_lr_ccsd_tq
./runtests.mpi.unix procs $np tce_eomsd_eomsol1
./runtests.mpi.unix procs $np tce_eomsd_eomsol2
./runtests.mpi.unix procs $np tce_cr_eom_t_ch_rohf
./runtests.mpi.unix procs $np tce_cr_eom_t_ozone
./runtests.mpi.unix procs $np tce_uracil_creomact