diff --git a/QA/tests/nwxc_pspw_1ar/nwxc_pspw_1ar.nw b/QA/tests/nwxc_pspw_1ar/nwxc_pspw_1ar.nw index bffd17b240..5d7043df9d 100644 --- a/QA/tests/nwxc_pspw_1ar/nwxc_pspw_1ar.nw +++ b/QA/tests/nwxc_pspw_1ar/nwxc_pspw_1ar.nw @@ -1,6 +1,7 @@ # $Id$ echo +#memory 950 mb start nwxc_dat diff --git a/QA/tests/pspw-grimme/pspw-grimme.nw b/QA/tests/pspw-grimme/pspw-grimme.nw index e605dfd707..aaf54e9795 100644 --- a/QA/tests/pspw-grimme/pspw-grimme.nw +++ b/QA/tests/pspw-grimme/pspw-grimme.nw @@ -18,6 +18,7 @@ title "2 water molecules using pbe-grimme2, pbe-grimme3" echo start pspw_grimme +memory 1900 mb geometry nocenter noautosym noautoz print diff --git a/QA/tests/pspw_acm_h2o/pspw_acm_h2o.nw b/QA/tests/pspw_acm_h2o/pspw_acm_h2o.nw index 2bb8cadbe3..5b6f5323e6 100644 --- a/QA/tests/pspw_acm_h2o/pspw_acm_h2o.nw +++ b/QA/tests/pspw_acm_h2o/pspw_acm_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_acm_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_b3lyp_h2o/pspw_b3lyp_h2o.nw b/QA/tests/pspw_b3lyp_h2o/pspw_b3lyp_h2o.nw index 629512e4f9..2152819bf4 100644 --- a/QA/tests/pspw_b3lyp_h2o/pspw_b3lyp_h2o.nw +++ b/QA/tests/pspw_b3lyp_h2o/pspw_b3lyp_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_b3lyp_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_beef_h2o/pspw_beef_h2o.nw b/QA/tests/pspw_beef_h2o/pspw_beef_h2o.nw index 38ee829338..b7d578ada9 100644 --- a/QA/tests/pspw_beef_h2o/pspw_beef_h2o.nw +++ b/QA/tests/pspw_beef_h2o/pspw_beef_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_beef_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_blyp_h2o/pspw_blyp_h2o.nw b/QA/tests/pspw_blyp_h2o/pspw_blyp_h2o.nw index 7912e840e0..87cc8374c6 100644 --- a/QA/tests/pspw_blyp_h2o/pspw_blyp_h2o.nw +++ b/QA/tests/pspw_blyp_h2o/pspw_blyp_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_blyp_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_bp86_h2o/pspw_bp86_h2o.nw b/QA/tests/pspw_bp86_h2o/pspw_bp86_h2o.nw index 2eb968dfe6..9694afe1de 100644 --- a/QA/tests/pspw_bp86_h2o/pspw_bp86_h2o.nw +++ b/QA/tests/pspw_bp86_h2o/pspw_bp86_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_bp86_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_bp91_h2o/pspw_bp91_h2o.nw b/QA/tests/pspw_bp91_h2o/pspw_bp91_h2o.nw index 08b306cb7f..b8fc0eba4e 100644 --- a/QA/tests/pspw_bp91_h2o/pspw_bp91_h2o.nw +++ b/QA/tests/pspw_bp91_h2o/pspw_bp91_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_bp91_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_hcth120_h2o/pspw_hcth120_h2o.nw b/QA/tests/pspw_hcth120_h2o/pspw_hcth120_h2o.nw index 8a7f403de2..092c241f43 100644 --- a/QA/tests/pspw_hcth120_h2o/pspw_hcth120_h2o.nw +++ b/QA/tests/pspw_hcth120_h2o/pspw_hcth120_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_hcth120_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_hcth147_h2o/pspw_hcth147_h2o.nw b/QA/tests/pspw_hcth147_h2o/pspw_hcth147_h2o.nw index 67060c9447..29e67b7acf 100644 --- a/QA/tests/pspw_hcth147_h2o/pspw_hcth147_h2o.nw +++ b/QA/tests/pspw_hcth147_h2o/pspw_hcth147_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_hcth147_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_hcth407_h2o/pspw_hcth407_h2o.nw b/QA/tests/pspw_hcth407_h2o/pspw_hcth407_h2o.nw index 01866bc01a..345a136eb9 100644 --- a/QA/tests/pspw_hcth407_h2o/pspw_hcth407_h2o.nw +++ b/QA/tests/pspw_hcth407_h2o/pspw_hcth407_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_hcth407_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_hcth_h2o/pspw_hcth_h2o.nw b/QA/tests/pspw_hcth_h2o/pspw_hcth_h2o.nw index eb144cb63f..1753425853 100644 --- a/QA/tests/pspw_hcth_h2o/pspw_hcth_h2o.nw +++ b/QA/tests/pspw_hcth_h2o/pspw_hcth_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_hcth_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_hse_h2o/pspw_hse_h2o.nw b/QA/tests/pspw_hse_h2o/pspw_hse_h2o.nw index 6eaa123f41..c47a5105ea 100644 --- a/QA/tests/pspw_hse_h2o/pspw_hse_h2o.nw +++ b/QA/tests/pspw_hse_h2o/pspw_hse_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_hse_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_mpw1k_h2o/pspw_mpw1k_h2o.nw b/QA/tests/pspw_mpw1k_h2o/pspw_mpw1k_h2o.nw index 3ff789b5fe..54a44c206d 100644 --- a/QA/tests/pspw_mpw1k_h2o/pspw_mpw1k_h2o.nw +++ b/QA/tests/pspw_mpw1k_h2o/pspw_mpw1k_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_mpw1k_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_pbe0_h2o/pspw_pbe0_h2o.nw b/QA/tests/pspw_pbe0_h2o/pspw_pbe0_h2o.nw index 907f1b9ff2..7058fc5875 100644 --- a/QA/tests/pspw_pbe0_h2o/pspw_pbe0_h2o.nw +++ b/QA/tests/pspw_pbe0_h2o/pspw_pbe0_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_b3lyp_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_pbesol_h2o/pspw_pbesol_h2o.nw b/QA/tests/pspw_pbesol_h2o/pspw_pbesol_h2o.nw index 3c2b9c9902..ab96252329 100644 --- a/QA/tests/pspw_pbesol_h2o/pspw_pbesol_h2o.nw +++ b/QA/tests/pspw_pbesol_h2o/pspw_pbesol_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_pbesol_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_pw91_h2o/pspw_pw91_h2o.nw b/QA/tests/pspw_pw91_h2o/pspw_pw91_h2o.nw index 3c72fe7317..ab12029f07 100644 --- a/QA/tests/pspw_pw91_h2o/pspw_pw91_h2o.nw +++ b/QA/tests/pspw_pw91_h2o/pspw_pw91_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_pw91_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_revpbe_h2o/pspw_revpbe_h2o.nw b/QA/tests/pspw_revpbe_h2o/pspw_revpbe_h2o.nw index 86cae6d21e..10482d54a4 100644 --- a/QA/tests/pspw_revpbe_h2o/pspw_revpbe_h2o.nw +++ b/QA/tests/pspw_revpbe_h2o/pspw_revpbe_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_revpbe_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_scan_h2o/pspw_scan_h2o.nw b/QA/tests/pspw_scan_h2o/pspw_scan_h2o.nw index 06bfc1f246..647bbb163a 100644 --- a/QA/tests/pspw_scan_h2o/pspw_scan_h2o.nw +++ b/QA/tests/pspw_scan_h2o/pspw_scan_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_scan_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_sogga11-x_h2o/pspw_sogga11-x_h2o.nw b/QA/tests/pspw_sogga11-x_h2o/pspw_sogga11-x_h2o.nw index d0254e6de7..ab915bc7f5 100644 --- a/QA/tests/pspw_sogga11-x_h2o/pspw_sogga11-x_h2o.nw +++ b/QA/tests/pspw_sogga11-x_h2o/pspw_sogga11-x_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_sogga11-x_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_sogga_h2o/pspw_sogga_h2o.nw b/QA/tests/pspw_sogga_h2o/pspw_sogga_h2o.nw index 19d82ace19..898b1d49dc 100644 --- a/QA/tests/pspw_sogga_h2o/pspw_sogga_h2o.nw +++ b/QA/tests/pspw_sogga_h2o/pspw_sogga_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_sogga_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_tpss03_h2o/pspw_tpss03_h2o.nw b/QA/tests/pspw_tpss03_h2o/pspw_tpss03_h2o.nw index 49252848ed..dba6e04124 100644 --- a/QA/tests/pspw_tpss03_h2o/pspw_tpss03_h2o.nw +++ b/QA/tests/pspw_tpss03_h2o/pspw_tpss03_h2o.nw @@ -4,6 +4,7 @@ echo start pspw_tpss03_H2O1 +memory 1900 mb charge 0 diff --git a/QA/tests/pspw_vs98_h2o/pspw_vs98_h2o.nw b/QA/tests/pspw_vs98_h2o/pspw_vs98_h2o.nw index f438a007c5..262a9ee0fe 100644 --- a/QA/tests/pspw_vs98_h2o/pspw_vs98_h2o.nw +++ b/QA/tests/pspw_vs98_h2o/pspw_vs98_h2o.nw @@ -6,6 +6,7 @@ start pspw_vs98_H2O1 memory 1900 mb +memory 1900 mb charge 0