File tree Expand file tree Collapse file tree 2 files changed +7
-6
lines changed Expand file tree Collapse file tree 2 files changed +7
-6
lines changed Original file line number Diff line number Diff line change @@ -28,7 +28,7 @@ scf_thr 1.0e-6
2828cal_stress 1
2929stress_thr 1e-6
3030cal_force 1
31- force_thr_ev e -3
31+ force_thr_ev 1e -3
3232
3333md_type nve
3434md_dt 0.01
Original file line number Diff line number Diff line change 11#! /bin/bash
22
33# ABACUS executable path
4- abacus=abacus
4+ abacus=/home/mohan/qianrui/abacus-mc/build/ abacus
55# number of MPI processes
66np=4
77nt=$OMP_NUM_THREADS # number of OpenMP threads, default is $OMP_NUM_THREADS
@@ -12,8 +12,8 @@ stress_threshold=0.001
1212# check accuracy
1313ca=8
1414# specify the test cases file
15- cases_file=CASES_CPU.txt
16- # cases_file=CASES_mylist.txt
15+ # cases_file=CASES_CPU.txt
16+ cases_file=CASES_mylist.txt
1717# regex of case name
1818case=' ^[^#].*_.*$'
1919# enable AddressSanitizer
@@ -178,8 +178,9 @@ check_out(){
178178 let failed++
179179 failed_case_list+=$dir ' \n'
180180 calculation=` grep calculation INPUT | grep -v ' ^#' | awk ' {print $2}' | sed s/[[:space:]]//g`
181- running_path=` echo " OUT.autotest/running_$calculation " " .log" `
182- cat $running_path
181+ # mohan comment out 2025-04-22, we don't need to print so many details on the screen
182+ # running_path=`echo "OUT.autotest/running_$calculation"".log"`
183+ # cat $running_path
183184 case_status+=$dir ' 0\n'
184185 else
185186 case_status+=$dir ' 1\n'
You can’t perform that action at this time.
0 commit comments