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‎examples/band/lcao_Si2/run.sh‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -19,10 +19,10 @@ if [[ ! -f scf.output ]] ||
1919
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
2020
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
2121
then
22-
echo "job is failed!"
22+
echo "job failed!"
2323
exit 1
2424
else
25-
echo "job is successed!"
25+
echo "job succeeded!"
2626
exit 0
2727
fi
2828

‎examples/band/lcao_Si2/run.sh ‎

Lines changed: 29 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,29 @@
1+
#!/bin/bash
2+
3+
ABACUS_PATH=$(awk -F "=" '$1=="ABACUS_PATH"{print $2}' ../../SETENV)
4+
ABACUS_NPROCS=$(awk -F "=" '$1=="ABACUS_NPROCS"{print $2}' ../../SETENV)
5+
ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)
6+
7+
cp INPUT1 INPUT
8+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output
9+
cp INPUT2 INPUT
10+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee nscf.output
11+
12+
rm INPUT
13+
14+
if [[ ! -f scf.output ]] ||
15+
[[ ! -f nscf.output ]] ||
16+
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
17+
[[ ! -f OUT.ABACUS/running_nscf.log ]] ||
18+
[[ ! -f OUT.ABACUS/BANDS_1.dat ]] ||
19+
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
20+
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
21+
then
22+
echo "job failed!"
23+
exit 1
24+
else
25+
echo "job is successed!"
26+
exit 0
27+
fi
28+
29+

‎examples/band/pw_Al/run.sh‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -19,9 +19,9 @@ if [[ ! -f scf.output ]] ||
1919
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
2020
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
2121
then
22-
echo "job is failed!"
22+
echo "job failed!"
2323
exit 1
2424
else
25-
echo "job is successed!"
25+
echo "job succeeded!"
2626
exit 0
2727
fi

‎examples/band/pw_Al/run.sh ‎

Lines changed: 27 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,27 @@
1+
#!/bin/bash
2+
3+
ABACUS_PATH=$(awk -F "=" '$1=="ABACUS_PATH"{print $2}' ../../SETENV)
4+
ABACUS_NPROCS=$(awk -F "=" '$1=="ABACUS_NPROCS"{print $2}' ../../SETENV)
5+
ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)
6+
7+
cp INPUT1 INPUT
8+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output
9+
cp INPUT2 INPUT
10+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee nscf.output
11+
12+
rm INPUT
13+
14+
if [[ ! -f scf.output ]] ||
15+
[[ ! -f nscf.output ]] ||
16+
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
17+
[[ ! -f OUT.ABACUS/running_nscf.log ]] ||
18+
[[ ! -f OUT.ABACUS/BANDS_1.dat ]] ||
19+
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
20+
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
21+
then
22+
echo "job failed!"
23+
exit 1
24+
else
25+
echo "job is successed!"
26+
exit 0
27+
fi

‎examples/berryphase/lcao_PbTiO3/run.sh‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -21,9 +21,9 @@ if [[ ! -f scf.output ]] ||
2121
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
2222
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
2323
then
24-
echo "job is failed!"
24+
echo "job failed!"
2525
exit 1
2626
else
27-
echo "job is successed!"
27+
echo "job succeeded!"
2828
exit 0
2929
fi

‎examples/berryphase/lcao_PbTiO3/run.sh ‎

Lines changed: 29 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,29 @@
1+
#!/bin/bash
2+
3+
ABACUS_PATH=$(awk -F "=" '$1=="ABACUS_PATH"{print $2}' ../../SETENV)
4+
ABACUS_NPROCS=$(awk -F "=" '$1=="ABACUS_NPROCS"{print $2}' ../../SETENV)
5+
ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)
6+
7+
cp INPUT-scf INPUT
8+
cp KPT-scf KPT
9+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output
10+
11+
cp INPUT-nscf-c INPUT
12+
cp KPT-nscf-c KPT
13+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee nscf.output
14+
15+
rm INPUT KPT
16+
17+
if [[ ! -f scf.output ]] ||
18+
[[ ! -f nscf.output ]] ||
19+
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
20+
[[ ! -f OUT.ABACUS/running_nscf.log ]] ||
21+
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
22+
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
23+
then
24+
echo "job failed!"
25+
exit 1
26+
else
27+
echo "job is successed!"
28+
exit 0
29+
fi

‎examples/berryphase/pw_PbTiO3/run.sh‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -19,9 +19,9 @@ if [[ ! -f scf.output ]] ||
1919
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
2020
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
2121
then
22-
echo "job is failed!"
22+
echo "job failed!"
2323
exit 1
2424
else
25-
echo "job is successed!"
25+
echo "job succeeded!"
2626
exit 0
2727
fi

‎examples/berryphase/pw_PbTiO3/run.sh ‎

Lines changed: 27 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,27 @@
1+
#!/bin/bash
2+
3+
ABACUS_PATH=$(awk -F "=" '$1=="ABACUS_PATH"{print $2}' ../../SETENV)
4+
ABACUS_NPROCS=$(awk -F "=" '$1=="ABACUS_NPROCS"{print $2}' ../../SETENV)
5+
ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)
6+
7+
cp INPUT-scf INPUT
8+
cp KPT-scf KPT
9+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output
10+
11+
cp INPUT-nscf-c INPUT
12+
cp KPT-nscf-c KPT
13+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee nscf.output
14+
15+
if [[ ! -f scf.output ]] ||
16+
[[ ! -f nscf.output ]] ||
17+
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
18+
[[ ! -f OUT.ABACUS/running_nscf.log ]] ||
19+
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
20+
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
21+
then
22+
echo "job failed!"
23+
exit 1
24+
else
25+
echo "job is successed!"
26+
exit 0
27+
fi

‎examples/bravais_lattice/fcc_SiO2/run.sh‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -10,9 +10,9 @@ if [[ ! -f output ]] ||
1010
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
1111
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
1212
then
13-
echo "job is failed!"
13+
echo "job failed!"
1414
exit 1
1515
else
16-
echo "job is successed!"
16+
echo "job succeeded!"
1717
exit 0
1818
fi

‎examples/bravais_lattice/fcc_SiO2/run.sh ‎

Lines changed: 18 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,18 @@
1+
#!/bin/bash
2+
3+
ABACUS_PATH=$(awk -F "=" '$1=="ABACUS_PATH"{print $2}' ../../SETENV)
4+
ABACUS_NPROCS=$(awk -F "=" '$1=="ABACUS_NPROCS"{print $2}' ../../SETENV)
5+
ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)
6+
7+
OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee output
8+
9+
if [[ ! -f output ]] ||
10+
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
11+
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
12+
then
13+
echo "job failed!"
14+
exit 1
15+
else
16+
echo "job is successed!"
17+
exit 0
18+
fi

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