From b9dfc55a080adb7977028eae7598868e94cccd31 Mon Sep 17 00:00:00 2001 From: Jeff Hammond Date: Mon, 6 Jul 2015 00:20:48 +0000 Subject: [PATCH] add tce_h2o_ccsd_t test, use MPI, exit after simple tests --- QA/dotcetests | 34 ++++++++++++++++++---------------- 1 file changed, 18 insertions(+), 16 deletions(-) diff --git a/QA/dotcetests b/QA/dotcetests index 96cccf2616..26c36080de 100755 --- a/QA/dotcetests +++ b/QA/dotcetests @@ -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