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Merged
ajnonaka merged 2 commits into from
Jul 1, 2025
Merged

analysis scripts #45

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a7232ea
working on cleaning analysis scripts to work without moving results
ajnonaka Jun 27, 2025
90b9bca
plot.write_interval=1 for these examples
ajnonaka Jul 1, 2025
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2 changes: 1 addition & 1 deletion perlmutter_scripts/pointCharge_topgate/no_trap/Efm1/perl_noCharge
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Expand Up @@ -16,4 +16,4 @@ export OMP_PROC_BIND=spread


#run the application:
srun -n 32 -c 32 --cpu_bind=cores -G 32 ../../../../Exec/main3d.gnu.MPI.CUDA.EB.TD.TRAN.BROYPRLL.HYPRE.ex ../../../../input/negf/point_charges/topgate_CNTFET_cluster my_constants.Ef=-1 pc.num=0 my_constants.Vgs_max=1.5 my_constants.Vgs_min=-2 my_constants.Nsteps=36 plot.folder_name=/global/cfs/projectdirs/m3766/ELEQTRONeX/point_charge/topgate_CNTFET/no_charge/Efm1 use_diagnostics=1
srun -n 32 -c 32 --cpu_bind=cores -G 32 ../../../../Exec/main3d.gnu.MPI.CUDA.EB.TD.TRAN.BROYPRLL.HYPRE.ex ../../../../input/negf/point_charges/topgate_CNTFET_cluster my_constants.Ef=-1 pc.num=0 my_constants.Vgs_max=1.5 my_constants.Vgs_min=-2 my_constants.Nsteps=36 plot.folder_name=/global/cfs/projectdirs/m3766/ELEQTRONeX/point_charge/topgate_CNTFET/no_charge/Efm1 use_diagnostics=1 plot.write_interval=1
2 changes: 1 addition & 1 deletion perlmutter_scripts/pointCharge_topgate/no_trap/EfmDot2/perl_noCharge
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Original file line number Diff line number Diff line change
Expand Up @@ -16,4 +16,4 @@ export OMP_PROC_BIND=spread


#run the application:
srun -n 32 -c 32 --cpu_bind=cores -G 32 ../../../../Exec/main3d.gnu.MPI.CUDA.EB.TD.TRAN.BROYPRLL.HYPRE.ex ../../../../input/negf/point_charges/topgate_CNTFET_cluster my_constants.Ef=-0.2 pc.num=0 my_constants.Vgs_max=1 my_constants.Vgs_min=-2 my_constants.Nsteps=31 plot.folder_name=/global/cfs/projectdirs/m3766/ELEQTRONeX/point_charge/topgate_CNTFET/no_charge/EfmDot2 use_diagnostics=1
srun -n 32 -c 32 --cpu_bind=cores -G 32 ../../../../Exec/main3d.gnu.MPI.CUDA.EB.TD.TRAN.BROYPRLL.HYPRE.ex ../../../../input/negf/point_charges/topgate_CNTFET_cluster my_constants.Ef=-0.2 pc.num=0 my_constants.Vgs_max=1 my_constants.Vgs_min=-2 my_constants.Nsteps=31 plot.folder_name=/global/cfs/projectdirs/m3766/ELEQTRONeX/point_charge/topgate_CNTFET/no_charge/EfmDot2 use_diagnostics=1 plot.write_interval=1
2 changes: 1 addition & 1 deletion perlmutter_scripts/pointCharge_topgate/single_trap/Efm1/perl_1trap
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Original file line number Diff line number Diff line change
Expand Up @@ -16,4 +16,4 @@ export OMP_PROC_BIND=spread


#run the application:
srun -n 32 -c 32 --cpu_bind=cores -G 32 ../../../../Exec/main3d.gnu.MPI.CUDA.EB.TD.TRAN.BROYPRLL.HYPRE.ex ../../../../input/negf/point_charges/topgate_CNTFET_cluster my_constants.Ef=-1 pc.num=1 my_constants.Vgs_max=1.5 my_constants.Vgs_min=-2 my_constants.Nsteps=36 plot.folder_name=/global/cfs/projectdirs/m3766/ELEQTRONeX/point_charge/topgate_CNTFET/singleCharge/Efm1/Zoff4dz use_diagnostics=1
srun -n 32 -c 32 --cpu_bind=cores -G 32 ../../../../Exec/main3d.gnu.MPI.CUDA.EB.TD.TRAN.BROYPRLL.HYPRE.ex ../../../../input/negf/point_charges/topgate_CNTFET_cluster my_constants.Ef=-1 pc.num=1 my_constants.Vgs_max=1.5 my_constants.Vgs_min=-2 my_constants.Nsteps=36 plot.folder_name=/global/cfs/projectdirs/m3766/ELEQTRONeX/point_charge/topgate_CNTFET/singleCharge/Efm1/Zoff4dz use_diagnostics=1 plot.write_interval=1
2 changes: 1 addition & 1 deletion perlmutter_scripts/pointCharge_topgate/single_trap/EfmDot2/perl_1trap
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Original file line number Diff line number Diff line change
Expand Up @@ -16,4 +16,4 @@ export OMP_PROC_BIND=spread


#run the application:
srun -n 32 -c 32 --cpu_bind=cores -G 32 ../../../../Exec/main3d.gnu.MPI.CUDA.EB.TD.TRAN.BROYPRLL.HYPRE.ex ../../../../input/negf/point_charges/topgate_CNTFET_cluster my_constants.Ef=-0.2 pc.num=1 my_constants.Vgs_max=1 my_constants.Vgs_min=-2 my_constants.Nsteps=31 plot.folder_name=/global/cfs/projectdirs/m3766/ELEQTRONeX/point_charge/topgate_CNTFET/singleCharge/EfmDot2/Zoff4dz use_diagnostics=1
srun -n 32 -c 32 --cpu_bind=cores -G 32 ../../../../Exec/main3d.gnu.MPI.CUDA.EB.TD.TRAN.BROYPRLL.HYPRE.ex ../../../../input/negf/point_charges/topgate_CNTFET_cluster my_constants.Ef=-0.2 pc.num=1 my_constants.Vgs_max=1 my_constants.Vgs_min=-2 my_constants.Nsteps=31 plot.folder_name=/global/cfs/projectdirs/m3766/ELEQTRONeX/point_charge/topgate_CNTFET/singleCharge/EfmDot2/Zoff4dz use_diagnostics=1 plot.write_interval=1
8 changes: 4 additions & 4 deletions scripts/analysis/cnt_traps/scripts_for_paper/single_vs_no_trap/bandstructure.ipynb
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Expand Up @@ -145,10 +145,10 @@
"foldername = [] \n",
"variable_occupation = []\n",
"\n",
"foldername.append('../simulations/no_charge/EfmDot2')\n",
"foldername.append('/global/cfs/projectdirs/m3766/ELEQTRONeX_old/point_charge/topgate_CNTFET/no_charge/EfmDot2')\n",
"variable_occupation.append(False)\n",
"\n",
"foldername.append('../simulations/singleCharge/EfmDot2/Zoff4dz')\n",
"foldername.append('/global/cfs/projectdirs/m3766/ELEQTRONeX_old/point_charge/topgate_CNTFET/singleCharge/EfmDot2/Zoff4dz')\n",
"variable_occupation.append(True)\n",
"\n",
"# foldername.append('../simulations/Efm1/NoCharge')\n",
Expand Down Expand Up @@ -506,7 +506,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3 (ipykernel)",
"display_name": "NERSC Python",
"language": "python",
"name": "python3"
},
Expand All @@ -520,7 +520,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.10.12"
"version": "3.11.7"
}
},
"nbformat": 4,
Expand Down
12 changes: 6 additions & 6 deletions scripts/analysis/cnt_traps/scripts_for_paper/single_vs_no_trap/conductance.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -159,7 +159,7 @@
"Linestyle.append('solid')\n",
"\n",
"#simulations\n",
"foldername.append('../simulations/no_charge/EfmDot2')\n",
"foldername.append('/global/cfs/projectdirs/m3766/ELEQTRONeX_old/point_charge/topgate_CNTFET/no_charge/EfmDot2')\n",
"label_str.append(r'0 trap, $E_F=$-0.2 eV')\n",
"ZfromCNT.append('None')\n",
"Markertype.append('None')\n",
Expand All @@ -168,7 +168,7 @@
"Linestyle.append('dashed')\n",
"\n",
"\n",
"foldername.append('../simulations/singleCharge/EfmDot2/Zoff4dz')\n",
"foldername.append('/global/cfs/projectdirs/m3766/ELEQTRONeX_old/point_charge/topgate_CNTFET/singleCharge/EfmDot2/Zoff4dz')\n",
"label_str.append(r'1 trap, $E_F=$-0.2 eV')\n",
"ZfromCNT.append('0.3 nm')\n",
"Color.append('k')\n",
Expand All @@ -177,7 +177,7 @@
"Linestyle.append('dotted')\n",
"\n",
"\n",
"foldername.append('../simulations/no_charge/Efm1')\n",
"foldername.append('/global/cfs/projectdirs/m3766/ELEQTRONeX_old/point_charge/topgate_CNTFET/no_charge/Efm1')\n",
"label_str.append(r'0 trap, $E_F=$-1 eV')\n",
"ZfromCNT.append('None')\n",
"Markertype.append('^')\n",
Expand All @@ -186,7 +186,7 @@
"Linestyle.append('dashed')\n",
"\n",
"\n",
"foldername.append('../simulations/singleCharge/Efm1/Zoff4dz')\n",
"foldername.append('/global/cfs/projectdirs/m3766/ELEQTRONeX_old/point_charge/topgate_CNTFET/singleCharge/Efm1/Zoff4dz')\n",
"label_str.append(r'1 trap, $E_F=$-1 eV')\n",
"ZfromCNT.append('0.3 nm')\n",
"Color.append('k')\n",
Expand Down Expand Up @@ -737,7 +737,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3 (ipykernel)",
"display_name": "NERSC Python",
"language": "python",
"name": "python3"
},
Expand All @@ -751,7 +751,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.13.2"
"version": "3.11.7"
}
},
"nbformat": 4,
Expand Down