/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/ |
H A D | run-tddfpt.sh | 12 export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}" 15 unset PARA_PREFIX 23 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} < $2 > $3 2> $4" 24 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} < $2 > $3 2> $4 32 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/turbo_lanczos.x < $2 > $3 2> $4" 33 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/turbo_lanczos.x < $2 > $3 2> $4 41 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/turbo_spectrum.x ${PARA_SUFFIX} < $2 > $3 2> $4" 42 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/turbo_spectrum.x ${PARA_SUFFIX} < $2 > $3 2> $4 52 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/turbo_spectrum.x ${PARA_SUFFIX} < $2 > $3 2> $4 61 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/turbo_eels.x ${PARA_SUFFIX} < $2 > $3 2> $4" [all …]
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H A D | run-epw.sh | 13 export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}" 16 unset PARA_PREFIX 24 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} -input $2 > $3 2> $4" 25 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} -input $2 > $3 2> $4 33 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x -input $2 > $3 2> $4" 34 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x -input $2 > $3 2> $4 44 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/epw.x ${PARA_SUFFIX} -input $2 > $3 2> $4" 45 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/epw.x ${PARA_SUFFIX} -input $2 > $3 2> $4 53 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/q2r.x -input $2 > $3 2> $4" 54 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/q2r.x -input $2 > $3 2> $4 [all …]
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H A D | run-hp.sh | 12 export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}" 15 unset PARA_PREFIX 24 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x < $2 > $3 2> $4" 25 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x < $2 > $3 2> $4 34 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x < $2 > $3 2> $4" 35 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} < $2 > $3 2> $4 44 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/hp.x < $2 > $3 2> $4" 45 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/hp.x < $2 > $3 2> $4 55 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/hp.x < $2 > $3 2> $4" 56 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/hp.x ${PARA_SUFFIX} < $2 > $3 2> $4
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H A D | run-ph.sh | 12 export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}" 15 unset PARA_PREFIX 24 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} < $2 > $3 2> $4 33 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x ${PARA_SUFFIX} < $2 > $3 2> $4 42 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/q2r.x < $2 > $3 2> $4 51 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/matdyn.x < $2 > $3 2> $4 69 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/dvscf_q2r.x < $2 > $3 2> $4 78 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/postahc.x < $2 > $3 2> $4
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H A D | run-pw.sh | 12 export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}" 15 unset PARA_PREFIX 23 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} < $2 > $3 2> $4 32 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x ${PARA_SUFFIX} < $2 > $3 2> $4 41 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} -input $1 > $2 2> $3 44 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} -input $1 > $2 2> $3
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H A D | run-zg.sh | 12 export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}" 14 unset PARA_PREFIX 18 echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ZG.x -input $1 > $2 2> $3" 19 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ZG.x -input $1 > $2 2> $3
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H A D | run-cp.sh | 12 export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}" 25 unset PARA_PREFIX 29 echo ' RUNNING ',${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/cp.x ${PARA_SUFFIX} "$@" 30 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/cp.x ${PARA_SUFFIX} "$@"
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H A D | run-pp.sh | 12 export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}" 15 unset PARA_PREFIX 22 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} < $2 > $3 2> $4 30 ${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ppacf.x ${PARA_SUFFIX} < $2 > $3 2> $4
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/dports/science/quantum-espresso/q-e-qe-6.7.0/FFTXlib/examples/ |
H A D | run_example | 57 PW_COMMAND="$PARA_PREFIX $BIN_DIR/fft_test0.x $PARA_POSTFIX" 58 $ECHO "$PARA_PREFIX $BIN_DIR/fft_test0.x > fft_test0.out " 59 $PARA_PREFIX $BIN_DIR/fft_test0.x > fft_test0.out
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/examples/example05/ |
H A D | run_example | 72 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x " 76 HEAD_COMMAND="$PARA_PREFIX $BIN_DIR/head.x " 80 PW4GWW_COMMAND="$PARA_PREFIX $BIN_DIR/pw4gww.x " 84 GWW_COMMAND="$PARA_PREFIX $BIN_DIR/gww.x " 88 SIMPLE_COMMAND="$PARA_PREFIX $BIN_DIR/simple.x " 92 SIMPLE_BSE_COMMAND="$PARA_PREFIX $BIN_DIR/simple_bse.x "
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/examples/example02/ |
H A D | run_example | 72 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x " 76 HEAD_COMMAND="$PARA_PREFIX $BIN_DIR/head.x " 80 PW4GWW_COMMAND="$PARA_PREFIX $BIN_DIR/pw4gww.x " 84 GWW_COMMAND="$PARA_PREFIX $BIN_DIR/gww.x "
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/examples/GRID_example/ |
H A D | run_example_2 | 78 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 79 PH_COMMAND="$PARA_PREFIX $BIN_DIR/ph.x $PARA_POSTFIX" 80 Q2R_COMMAND="$PARA_PREFIX $BIN_DIR/q2r.x $PARA_POSTFIX" 81 MATDYN_COMMAND="$PARA_PREFIX $BIN_DIR/matdyn.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example08/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_DAVIDSON_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_davidson.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/examples/Recover_example/ |
H A D | run_example_1 | 81 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 82 PH_COMMAND="$PARA_PREFIX $BIN_DIR/ph.x $PARA_POSTFIX" 83 Q2R_COMMAND="$PARA_PREFIX $BIN_DIR/q2r.x $PARA_POSTFIX" 84 MATDYN_COMMAND="$PARA_PREFIX $BIN_DIR/matdyn.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/examples/example17/ |
H A D | run_example | 79 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 80 PH_COMMAND="$PARA_PREFIX $BIN_DIR/ph.x $PARA_POSTFIX" 81 MATDYN_COMMAND="$PARA_PREFIX $BIN_DIR/matdyn.x $PARA_POSTFIX" 82 Q2R_COMMAND="$PARA_PREFIX $BIN_DIR/q2r.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example16/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_EELS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_eels.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example17/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_EELS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_eels.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example14/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_EELS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_eels.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example01/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_LANCZOS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_lanczos.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example05/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_LANCZOS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_lanczos.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example13/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_EELS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_eels.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example04/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_LANCZOS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_lanczos.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example15/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_EELS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_eels.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/ACF_example/ |
H A D | run_example | 6 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 7 ACF_COMMAND="$PARA_PREFIX $BIN_DIR/ppacf.x $PARA_POSTFIX"
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example02/ |
H A D | run_example | 74 PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" 75 TURBO_LANCZOS_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_lanczos.x $PARA_POSTFIX" 76 TURBO_SPECTRUM_COMMAND="$PARA_PREFIX $BIN_DIR/turbo_spectrum.x $PARA_POSTFIX"
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