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Merged
mohanchen merged 1 commit into from
Nov 2, 2026
+1,362 −1,445
Merged

Precommit: Format other bash scripts (Part I) #8265

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17 changes: 8 additions & 9 deletions examples/01_bravais_lattice/01_fcc_Si/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,12 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee output

if [[ ! -f output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
fi
echo "job succeeded!"
exit 0
fi
17 changes: 8 additions & 9 deletions examples/01_bravais_lattice/02_hex_MoS2/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,12 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee output

if [[ ! -f output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
fi
echo "job succeeded!"
exit 0
fi
17 changes: 8 additions & 9 deletions examples/01_bravais_lattice/03_so_SnTe/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,12 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee output

if [[ ! -f output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
fi
echo "job succeeded!"
exit 0
fi
15 changes: 7 additions & 8 deletions examples/01_bravais_lattice/runall.sh
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Original file line number Diff line number Diff line change
@@ -1,11 +1,10 @@
#!/bin/bash

for ii in *
do
if [ -d $ii ];then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
for ii in *; do
if [ -d $ii ]; then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
done
17 changes: 8 additions & 9 deletions examples/02_scf/01_pw_Si2/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,12 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output

if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
fi
echo "job succeeded!"
exit 0
fi
17 changes: 8 additions & 9 deletions examples/02_scf/02_lcao_Si2/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,12 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output

if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
fi
echo "job succeeded!"
exit 0
fi
17 changes: 8 additions & 9 deletions examples/02_scf/03_lcao_Cu/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,12 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output

if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
fi
echo "job succeeded!"
exit 0
fi
17 changes: 8 additions & 9 deletions examples/02_scf/04_lcao_ZnO/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,12 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output

if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
fi
echo "job succeeded!"
exit 0
fi
15 changes: 7 additions & 8 deletions examples/02_scf/runall.sh
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Original file line number Diff line number Diff line change
@@ -1,11 +1,10 @@
#!/bin/bash

for ii in *
do
if [ -d $ii ];then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
for ii in *; do
if [ -d $ii ]; then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
done
17 changes: 8 additions & 9 deletions examples/03_spin_polarized/01_H_atom/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,12 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np 1 ${ABACUS_PATH} | tee scf.output

if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
fi
echo "job succeeded!"
exit 0
fi
17 changes: 8 additions & 9 deletions examples/03_spin_polarized/02_Fe_FM/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,14 +6,13 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output

if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! -f OUT.ABACUS/mulliken.txt ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! -f OUT.ABACUS/mulliken.txt ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
echo "job succeeded!"
exit 0
fi
17 changes: 8 additions & 9 deletions examples/03_spin_polarized/03_Fe_AFM/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,14 +6,13 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output

if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! -f OUT.ABACUS/mulliken.txt ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! -f OUT.ABACUS/mulliken.txt ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
echo "job succeeded!"
exit 0
fi
15 changes: 7 additions & 8 deletions examples/03_spin_polarized/runall.sh
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Original file line number Diff line number Diff line change
@@ -1,11 +1,10 @@
#!/bin/bash

for ii in *
do
if [ -d $ii ];then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
for ii in *; do
if [ -d $ii ]; then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
done
17 changes: 8 additions & 9 deletions examples/04_noncollinear/01_Fe_noncollinear/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,14 +6,13 @@ ABACUS_THREADS=$(awk -F "=" '$1=="ABACUS_THREADS"{print $2}' ../../SETENV)

OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | tee scf.output

if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! -f OUT.ABACUS/mulliken.txt ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! -f OUT.ABACUS/mulliken.txt ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
echo "job succeeded!"
exit 0
fi
15 changes: 7 additions & 8 deletions examples/04_noncollinear/runall.sh
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Original file line number Diff line number Diff line change
@@ -1,11 +1,10 @@
#!/bin/bash

for ii in *
do
if [ -d $ii ];then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
for ii in *; do
if [ -d $ii ]; then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
done
21 changes: 10 additions & 11 deletions examples/05_soc/01_pw_GaAs/run.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -14,16 +14,15 @@ OMP_NUM_THREADS=${ABACUS_THREADS} mpirun -np ${ABACUS_NPROCS} ${ABACUS_PATH} | t

rm INPUT KPT

if [[ ! -f scf.output ]] ||
[[ ! -f nscf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! -f OUT.ABACUS/running_nscf.log ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"* ) ]] ||
[[ ! ( "$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"* ) ]]
then
echo "job failed!"
exit 1
if [[ ! -f scf.output ]] ||
[[ ! -f nscf.output ]] ||
[[ ! -f OUT.ABACUS/running_scf.log ]] ||
[[ ! -f OUT.ABACUS/running_nscf.log ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_scf.log)" == " Total Time :"*) ]] ||
[[ ! ("$(tail -1 OUT.ABACUS/running_nscf.log)" == " Total Time :"*) ]]; then
echo "job failed!"
exit 1
else
echo "job succeeded!"
exit 0
echo "job succeeded!"
exit 0
fi
15 changes: 7 additions & 8 deletions examples/05_soc/runall.sh
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Open in desktop
Original file line number Diff line number Diff line change
@@ -1,11 +1,10 @@
#!/bin/bash

for ii in *
do
if [ -d $ii ];then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
for ii in *; do
if [ -d $ii ]; then
cd ${ii}
echo "RUN: ${ii}"
bash run.sh
cd ..
fi
done
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