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gpu_lammps_Ta_all5b.sh
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gpu_lammps_Ta_all5b.sh
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#!/bin/bash
#SBATCH --ntasks=24 #cpu usage
#SBATCH --gres=gpu:4
#SBATCH --time=72:00:00 #walltime
#SBATCH --exclusive
#SBATCH --mem-per-cpu=2560M #memory per CPU core
#SBATCH --qos=test
#SBATCH --mail-user=devin_adams3@hotmail.com # email address
#SBATCH --mail-type=FAIL
#this line loads the CUDA library which is needed for the GPUs
module load cuda/6.5.14
###########################################################################-----------1
echo "Begin 5 5 0 origin - Tantalum 5"
##-------Construct GB--------##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_GBmin_DA.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_GBmin_DA.in\
# -var dumpname3gb "zdump.Ta3_550_GBmin_*.out"\
# -var dumpname4gb "zdump.Ta4_550_GBmin_*.out"\
# -var dumpname5gb "zdump.Ta5_550_GBmin_*.out"\
# -var restartname3gb "Ta3_550_GB.restart"\
# -var restartname4gb "Ta4_550_GB.restart"\
# -var restartname5gb "Ta5_550_GB.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
#1:Symmetrical sharp #2:Left sharp, right soft #3:Right sharp, left soft
#4:Symmetrical soft #5:Left soft, right broad #6:Right soft, left broad
#7:Symmetrical broad #8:Left broad, right sharp #9:Right broad, left sharp
##-----Equilibrate Ta GB - Notch 1-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N1.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
# -var dumpname3eq "zdump.Ta3_550_Equil_N1_*.out"\
# -var dumpname4eq "zdump.Ta4_550_Equil_N1_*.out"\
# -var dumpname5eq "zdump.Ta5_550_Equil_N1_*.out"\
# -var restartname3gb "Ta3_550_GB.restart"\
# -var restartname4gb "Ta4_550_GB.restart"\
# -var restartname5gb "Ta5_550_GB.restart"\
# -var restartname3eq "Ta3_550_Eq_N1.restart"\
# -var restartname4eq "Ta4_550_Eq_N1.restart"\
# -var restartname5eq "Ta5_550_Eq_N1.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var notchshape 1\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Shear Ta GB - Notch 1-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N1.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
# -var dumpname3sh "zdump.Ta3_550_Shear_N1_*.out"\
# -var dumpname4sh "zdump.Ta4_550_Shear_N1_*.out"\
# -var dumpname5sh "zdump.Ta5_550_Shear_N1_*.out"\
# -var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N1_*.out"\
# -var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N1_*.out"\
# -var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N1_*.out"\
# -var restartname3eq "Ta3_550_Eq_N1.restart"\
# -var restartname4eq "Ta4_550_Eq_N1.restart"\
# -var restartname5eq "Ta5_550_Eq_N1.restart"\
# -var restartname3sh "Ta3_550_Sh_N1.restart"\
# -var restartname4sh "Ta4_550_Sh_N1.restart"\
# -var restartname5sh "Ta5_550_Sh_N1.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Equilibrate Ta GB - Notch 2-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N2.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
# -var dumpname3eq "zdump.Ta3_550_Equil_N2_*.out"\
# -var dumpname4eq "zdump.Ta4_550_Equil_N2_*.out"\
# -var dumpname5eq "zdump.Ta5_550_Equil_N2_*.out"\
# -var restartname3gb "Ta3_550_GB.restart"\
# -var restartname4gb "Ta4_550_GB.restart"\
# -var restartname5gb "Ta5_550_GB.restart"\
# -var restartname3eq "Ta3_550_Eq_N2.restart"\
# -var restartname4eq "Ta4_550_Eq_N2.restart"\
# -var restartname5eq "Ta5_550_Eq_N2.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var notchshape 2\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Shear Ta GB - Notch 2-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N2.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
# -var dumpname3sh "zdump.Ta3_550_Shear_N2_*.out"\
# -var dumpname4sh "zdump.Ta4_550_Shear_N2_*.out"\
# -var dumpname5sh "zdump.Ta5_550_Shear_N2_*.out"\
# -var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N2_*.out"\
# -var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N2_*.out"\
# -var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N2_*.out"\
# -var restartname3eq "Ta3_550_Eq_N2.restart"\
# -var restartname4eq "Ta4_550_Eq_N2.restart"\
# -var restartname5eq "Ta5_550_Eq_N2.restart"\
# -var restartname3sh "Ta3_550_Sh_N2.restart"\
# -var restartname4sh "Ta4_550_Sh_N2.restart"\
# -var restartname5sh "Ta5_550_Sh_N2.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Equilibrate Ta GB - Notch 3-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N3.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
# -var dumpname3eq "zdump.Ta3_550_Equil_N3_*.out"\
# -var dumpname4eq "zdump.Ta4_550_Equil_N3_*.out"\
# -var dumpname5eq "zdump.Ta5_550_Equil_N3_*.out"\
# -var restartname3gb "Ta3_550_GB.restart"\
# -var restartname4gb "Ta4_550_GB.restart"\
# -var restartname5gb "Ta5_550_GB.restart"\
# -var restartname3eq "Ta3_550_Eq_N3.restart"\
# -var restartname4eq "Ta4_550_Eq_N3.restart"\
# -var restartname5eq "Ta5_550_Eq_N3.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var notchshape 3\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
#
##-----Shear Ta GB - Notch 3-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N3.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
# -var dumpname3sh "zdump.Ta3_550_Shear_N3_*.out"\
# -var dumpname4sh "zdump.Ta4_550_Shear_N3_*.out"\
# -var dumpname5sh "zdump.Ta5_550_Shear_N3_*.out"\
# -var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N3_*.out"\
# -var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N3_*.out"\
# -var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N3_*.out"\
# -var restartname3eq "Ta3_550_Eq_N3.restart"\
# -var restartname4eq "Ta4_550_Eq_N3.restart"\
# -var restartname5eq "Ta5_550_Eq_N3.restart"\
# -var restartname3sh "Ta3_550_Sh_N3.restart"\
# -var restartname4sh "Ta4_550_Sh_N3.restart"\
# -var restartname5sh "Ta5_550_Sh_N3.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Equilibrate Ta GB - Notch 4-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N4.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
# -var dumpname3eq "zdump.Ta3_550_Equil_N4_*.out"\
# -var dumpname4eq "zdump.Ta4_550_Equil_N4_*.out"\
# -var dumpname5eq "zdump.Ta5_550_Equil_N4_*.out"\
# -var restartname3gb "Ta3_550_GB.restart"\
# -var restartname4gb "Ta4_550_GB.restart"\
# -var restartname5gb "Ta5_550_GB.restart"\
# -var restartname3eq "Ta3_550_Eq_N4.restart"\
# -var restartname4eq "Ta4_550_Eq_N4.restart"\
# -var restartname5eq "Ta5_550_Eq_N4.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var notchshape 4\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Shear Ta GB - Notch 4-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N4.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
# -var dumpname3sh "zdump.Ta3_550_Shear_N4_*.out"\
# -var dumpname4sh "zdump.Ta4_550_Shear_N4_*.out"\
# -var dumpname5sh "zdump.Ta5_550_Shear_N4_*.out"\
# -var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N4_*.out"\
# -var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N4_*.out"\
# -var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N4_*.out"\
# -var restartname3eq "Ta3_550_Eq_N4.restart"\
# -var restartname4eq "Ta4_550_Eq_N4.restart"\
# -var restartname5eq "Ta5_550_Eq_N4.restart"\
# -var restartname3sh "Ta3_550_Sh_N4.restart"\
# -var restartname4sh "Ta4_550_Sh_N4.restart"\
# -var restartname5sh "Ta5_550_Sh_N4.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
#
##-----Equilibrate Ta GB - Notch 5-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N5.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
# -var dumpname3eq "zdump.Ta3_550_Equil_N5_*.out"\
# -var dumpname4eq "zdump.Ta4_550_Equil_N5_*.out"\
# -var dumpname5eq "zdump.Ta5_550_Equil_N5_*.out"\
# -var restartname3gb "Ta3_550_GB.restart"\
# -var restartname4gb "Ta4_550_GB.restart"\
# -var restartname5gb "Ta5_550_GB.restart"\
# -var restartname3eq "Ta3_550_Eq_N5.restart"\
# -var restartname4eq "Ta4_550_Eq_N5.restart"\
# -var restartname5eq "Ta5_550_Eq_N5.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var notchshape 5\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Shear Ta GB - Notch 5-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N5.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
# -var dumpname3sh "zdump.Ta3_550_Shear_N5_*.out"\
# -var dumpname4sh "zdump.Ta4_550_Shear_N5_*.out"\
# -var dumpname5sh "zdump.Ta5_550_Shear_N5_*.out"\
# -var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N5_*.out"\
# -var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N5_*.out"\
# -var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N5_*.out"\
# -var restartname3eq "Ta3_550_Eq_N5.restart"\
# -var restartname4eq "Ta4_550_Eq_N5.restart"\
# -var restartname5eq "Ta5_550_Eq_N5.restart"\
# -var restartname3sh "Ta3_550_Sh_N5.restart"\
# -var restartname4sh "Ta4_550_Sh_N5.restart"\
# -var restartname5sh "Ta5_550_Sh_N5.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Equilibrate Ta GB - Notch 6-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N6.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
# -var dumpname3eq "zdump.Ta3_550_Equil_N6_*.out"\
# -var dumpname4eq "zdump.Ta4_550_Equil_N6_*.out"\
# -var dumpname5eq "zdump.Ta5_550_Equil_N6_*.out"\
# -var restartname3gb "Ta3_550_GB.restart"\
# -var restartname4gb "Ta4_550_GB.restart"\
# -var restartname5gb "Ta5_550_GB.restart"\
# -var restartname3eq "Ta3_550_Eq_N6.restart"\
# -var restartname4eq "Ta4_550_Eq_N6.restart"\
# -var restartname5eq "Ta5_550_Eq_N6.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var notchshape 6\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Shear Ta GB - Notch 6-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N6.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
# -var dumpname3sh "zdump.Ta3_550_Shear_N6_*.out"\
# -var dumpname4sh "zdump.Ta4_550_Shear_N6_*.out"\
# -var dumpname5sh "zdump.Ta5_550_Shear_N6_*.out"\
# -var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N6_*.out"\
# -var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N6_*.out"\
# -var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N6_*.out"\
# -var restartname3eq "Ta3_550_Eq_N6.restart"\
# -var restartname4eq "Ta4_550_Eq_N6.restart"\
# -var restartname5eq "Ta5_550_Eq_N6.restart"\
# -var restartname3sh "Ta3_550_Sh_N6.restart"\
# -var restartname4sh "Ta4_550_Sh_N6.restart"\
# -var restartname5sh "Ta5_550_Sh_N6.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Equilibrate Ta GB - Notch 7-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N7.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
# -var dumpname3eq "zdump.Ta3_550_Equil_N7_*.out"\
# -var dumpname4eq "zdump.Ta4_550_Equil_N7_*.out"\
# -var dumpname5eq "zdump.Ta5_550_Equil_N7_*.out"\
# -var restartname3gb "Ta3_550_GB.restart"\
# -var restartname4gb "Ta4_550_GB.restart"\
# -var restartname5gb "Ta5_550_GB.restart"\
# -var restartname3eq "Ta3_550_Eq_N7.restart"\
# -var restartname4eq "Ta4_550_Eq_N7.restart"\
# -var restartname5eq "Ta5_550_Eq_N7.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var notchshape 7\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Shear Ta GB - Notch 7-----##
#time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
# -log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N7.log\
# -in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
# -var dumpname3sh "zdump.Ta3_550_Shear_N7_*.out"\
# -var dumpname4sh "zdump.Ta4_550_Shear_N7_*.out"\
# -var dumpname5sh "zdump.Ta5_550_Shear_N7_*.out"\
# -var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N7_*.out"\
# -var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N7_*.out"\
# -var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N7_*.out"\
# -var restartname3eq "Ta3_550_Eq_N7.restart"\
# -var restartname4eq "Ta4_550_Eq_N7.restart"\
# -var restartname5eq "Ta5_550_Eq_N7.restart"\
# -var restartname3sh "Ta3_550_Sh_N7.restart"\
# -var restartname4sh "Ta4_550_Sh_N7.restart"\
# -var restartname5sh "Ta5_550_Sh_N7.restart"\
# -var Ta 5\
# -var a 0.5\
# -var b 0.5\
# -var c 0\
# -var cutoff 0.677\
# -sf gpu -pk gpu 4
##-----Equilibrate Ta GB - Notch 8-----##
time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
-log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N8.log\
-in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
-var dumpname3eq "zdump.Ta3_550_Equil_N8_*.out"\
-var dumpname4eq "zdump.Ta4_550_Equil_N8_*.out"\
-var dumpname5eq "zdump.Ta5_550_Equil_N8_*.out"\
-var restartname3gb "Ta3_550_GB.restart"\
-var restartname4gb "Ta4_550_GB.restart"\
-var restartname5gb "Ta5_550_GB.restart"\
-var restartname3eq "Ta3_550_Eq_N8.restart"\
-var restartname4eq "Ta4_550_Eq_N8.restart"\
-var restartname5eq "Ta5_550_Eq_N8.restart"\
-var Ta 5\
-var a 0.5\
-var b 0.5\
-var c 0\
-var notchshape 8\
-var cutoff 0.677\
-sf gpu -pk gpu 4
##-----Shear Ta GB - Notch 8-----##
time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
-log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N8.log\
-in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
-var dumpname3sh "zdump.Ta3_550_Shear_N8_*.out"\
-var dumpname4sh "zdump.Ta4_550_Shear_N8_*.out"\
-var dumpname5sh "zdump.Ta5_550_Shear_N8_*.out"\
-var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N8_*.out"\
-var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N8_*.out"\
-var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N8_*.out"\
-var restartname3eq "Ta3_550_Eq_N8.restart"\
-var restartname4eq "Ta4_550_Eq_N8.restart"\
-var restartname5eq "Ta5_550_Eq_N8.restart"\
-var restartname3sh "Ta3_550_Sh_N8.restart"\
-var restartname4sh "Ta4_550_Sh_N8.restart"\
-var restartname5sh "Ta5_550_Sh_N8.restart"\
-var Ta 5\
-var a 0.5\
-var b 0.5\
-var c 0\
-var cutoff 0.677\
-sf gpu -pk gpu 4
##-----Equilibrate Ta GB - Notch 9-----##
time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
-log /fslhome/dadams26/log_output/Ta5_550_Equil_DA_N9.log\
-in /fslhome/dadams26/lammps_scripts/Ta_Equil_DA.in\
-var dumpname3eq "zdump.Ta3_550_Equil_N9_*.out"\
-var dumpname4eq "zdump.Ta4_550_Equil_N9_*.out"\
-var dumpname5eq "zdump.Ta5_550_Equil_N9_*.out"\
-var restartname3gb "Ta3_550_GB.restart"\
-var restartname4gb "Ta4_550_GB.restart"\
-var restartname5gb "Ta5_550_GB.restart"\
-var restartname3eq "Ta3_550_Eq_N9.restart"\
-var restartname4eq "Ta4_550_Eq_N9.restart"\
-var restartname5eq "Ta5_550_Eq_N9.restart"\
-var Ta 5\
-var a 0.5\
-var b 0.5\
-var c 0\
-var notchshape 9\
-var cutoff 0.677\
-sf gpu -pk gpu 4
##-----Shear Ta GB - Notch 9-----##
time mpirun /fslhome/dadams26/executables/lmp_gpu_NVsv\
-log /fslhome/dadams26/log_output/Ta5_550_Shear_DA_N9.log\
-in /fslhome/dadams26/lammps_scripts/Ta_Shear_DA.in\
-var dumpname3sh "zdump.Ta3_550_Shear_N9_*.out"\
-var dumpname4sh "zdump.Ta4_550_Shear_N9_*.out"\
-var dumpname5sh "zdump.Ta5_550_Shear_N9_*.out"\
-var dumpname3bsh "zdump.Ta3_550_Shear_unfiltered_N9_*.out"\
-var dumpname4bsh "zdump.Ta4_550_Shear_unfiltered_N9_*.out"\
-var dumpname5bsh "zdump.Ta5_550_Shear_unfiltered_N9_*.out"\
-var restartname3eq "Ta3_550_Eq_N9.restart"\
-var restartname4eq "Ta4_550_Eq_N9.restart"\
-var restartname5eq "Ta5_550_Eq_N9.restart"\
-var restartname3sh "Ta3_550_Sh_N9.restart"\
-var restartname4sh "Ta4_550_Sh_N9.restart"\
-var restartname5sh "Ta5_550_Sh_N9.restart"\
-var Ta 5\
-var a 0.5\
-var b 0.5\
-var c 0\
-var cutoff 0.677\
-sf gpu -pk gpu 4
echo "End 5 5 0 origin- Tantalum 5"