diff --git a/tests/integrate/104_PW_NC_magnetic/result.ref b/tests/integrate/104_PW_NC_magnetic/result.ref index 8269283f59..b99b654c6b 100644 --- a/tests/integrate/104_PW_NC_magnetic/result.ref +++ b/tests/integrate/104_PW_NC_magnetic/result.ref @@ -1,6 +1,6 @@ -etotref -5866.197119619808 -etotperatomref -2933.0985598099 +etotref -5866.197297574256 +etotperatomref -2933.0986487871 pointgroupref O_h spacegroupref O_h nksibzref 1 -totaltimeref 3.84 +totaltimeref 4.97 diff --git a/tests/integrate/Autotest.sh b/tests/integrate/Autotest.sh index 781e966530..07ce679db2 100755 --- a/tests/integrate/Autotest.sh +++ b/tests/integrate/Autotest.sh @@ -148,7 +148,6 @@ check_out(){ calculation=`grep calculation INPUT | awk '{print $2}' | sed s/[[:space:]]//g` running_path=`echo "OUT.autotest/running_$calculation"".log"` cat $running_path - '\n' fi if [ $(echo "sqrt($deviation*$deviation) < $fatal_threshold"|bc) = 0 ]; then let fatal++ @@ -201,6 +200,8 @@ for dir in $testdir; do time { if [ "$case" = "282_NO_RPA" -o "$dir" = "102_PW_BPCG" ]; then mpirun -np 1 $abacus > log.txt + elif [ "$case" = "104_PW_NC_magnetic" ]; then + OMP_NUM_THREADS=1 mpirun -np $np $abacus > log.txt else mpirun -np $np $abacus > log.txt fi