From c108fe6fb1480180e1cd29fe36ef7cff9b903d6d Mon Sep 17 00:00:00 2001 From: hongriTianqi Date: Mon, 25 Dec 2023 15:18:00 +0800 Subject: [PATCH 1/4] Test: remove warning status in ci --- tests/integrate/Autotest.sh | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/tests/integrate/Autotest.sh b/tests/integrate/Autotest.sh index 5310998097..35edcf419c 100755 --- a/tests/integrate/Autotest.sh +++ b/tests/integrate/Autotest.sh @@ -115,7 +115,9 @@ check_out(){ echo -e "[WARNING ] "\ "$key cal=$cal ref=$ref deviation=$deviation" let failed++ + let fatal++ failed_case_list+=$dir'\n' + fatal_case_list+=$dir'\n' else #echo "$key cal=$cal ref=$ref deviation=$deviation" #echo "[ PASS ] $key" @@ -127,7 +129,9 @@ check_out(){ echo -e "[WARNING ] "\ "$key cal=$cal ref=$ref deviation=$deviation" let failed++ + let fatal++ failed_case_list+=$dir'\n' + fatal_case_list+=$dir'\n' else #echo "$key cal=$cal ref=$ref deviation=$deviation" #echo "[ PASS ] $key" @@ -138,7 +142,9 @@ check_out(){ echo -e "[WARNING ] "\ "$key cal=$cal ref=$ref deviation=$deviation" let failed++ + let fatal++ failed_case_list+=$dir'\n' + fatal_case_list+=$dir'\n' fi if [ $(echo "sqrt($deviation*$deviation) < $fatal_threshold"|bc) = 0 ]; then let fatal++ From 52f9960b8ff21de459d88427e14bc085dafd8c51 Mon Sep 17 00:00:00 2001 From: hongriTianqi Date: Tue, 26 Dec 2023 17:20:36 +0800 Subject: [PATCH 2/4] change ref values of 109_PW_CR_fix_ac and 116_PW_scan_Si2_nspin2 --- tests/integrate/109_PW_CR_fix_ac/result.ref | 10 +++++----- tests/integrate/116_PW_scan_Si2_nspin2/result.ref | 10 +++++----- 2 files changed, 10 insertions(+), 10 deletions(-) diff --git a/tests/integrate/109_PW_CR_fix_ac/result.ref b/tests/integrate/109_PW_CR_fix_ac/result.ref index bfbb04c2b9..53d64738c9 100644 --- a/tests/integrate/109_PW_CR_fix_ac/result.ref +++ b/tests/integrate/109_PW_CR_fix_ac/result.ref @@ -1,5 +1,5 @@ -etotref -211.8190977198273686 -etotperatomref -105.9095488599 -totalforceref 0.066072 -totalstressref 360.004787 -totaltimeref 1.65 +etotref -211.8218194443911671 +etotperatomref -105.9109097222 +totalforceref 0.083578 +totalstressref 352.046235 +totaltimeref 35.06 diff --git a/tests/integrate/116_PW_scan_Si2_nspin2/result.ref b/tests/integrate/116_PW_scan_Si2_nspin2/result.ref index 7802f665b1..9204ab268b 100644 --- a/tests/integrate/116_PW_scan_Si2_nspin2/result.ref +++ b/tests/integrate/116_PW_scan_Si2_nspin2/result.ref @@ -1,5 +1,5 @@ -etotref -204.0730158607786393 -etotperatomref -102.0365079304 -totalforceref 16.660110 -totalstressref 1357.594842 -totaltimeref 2.39 +etotref -204.0729983885539980 +etotperatomref -102.0364991943 +totalforceref 16.662104 +totalstressref 1357.314273 +totaltimeref 217.84 From 53cef011bd848c702bd312e51f54cb2bac37a4d6 Mon Sep 17 00:00:00 2001 From: root Date: Wed, 27 Dec 2023 05:59:25 +0000 Subject: [PATCH 3/4] change ref value of 104_PW_NC_magnetic --- tests/integrate/104_PW_NC_magnetic/result.ref | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/tests/integrate/104_PW_NC_magnetic/result.ref b/tests/integrate/104_PW_NC_magnetic/result.ref index 384804bb8d..f45b4b4028 100644 --- a/tests/integrate/104_PW_NC_magnetic/result.ref +++ b/tests/integrate/104_PW_NC_magnetic/result.ref @@ -1,6 +1,6 @@ -etotref -5866.197307043378 -etotperatomref -2933.0986535217 +etotref -5866.197119831291 +etotperatomref -2933.0985599156 pointgroupref O_h spacegroupref O_h nksibzref 1 -totaltimeref 2.23 +totaltimeref 5.83 From 62da5ece60dc87d9612dc354cda01ef3f7617ad0 Mon Sep 17 00:00:00 2001 From: root Date: Wed, 27 Dec 2023 06:33:54 +0000 Subject: [PATCH 4/4] update ref of 109_PW_CR_fix_a --- tests/integrate/109_PW_CR_fix_a/result.ref | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/tests/integrate/109_PW_CR_fix_a/result.ref b/tests/integrate/109_PW_CR_fix_a/result.ref index ed4ee91185..ef5d3ed9a2 100644 --- a/tests/integrate/109_PW_CR_fix_a/result.ref +++ b/tests/integrate/109_PW_CR_fix_a/result.ref @@ -1,5 +1,5 @@ -etotref -211.8207812299872046 -etotperatomref -105.9103906150 -totalforceref 0.046770 -totalstressref 355.688831 -totaltimeref +0.35611 +etotref -211.8234658590225479 +etotperatomref -105.9117329295 +totalforceref 0.058886 +totalstressref 348.169515 +totaltimeref 0.75