Initial commit for gds-parsing-feature

Examples/Tests/circuits/Candice/test_metal_quibit_circuit_8_qubit_v2

@@ -0,0 +1,162 @@
+# See parameters in https://github.com/ECP-WarpX/artemis/pull/43
+
+################################
+####### GENERAL PARAMETERS ######
+#################################
+max_step = 10
+
+amr.n_cell = n_cellx n_celly n_cellz
+amr.max_grid_size = max_grid_sizex max_grid_sizey max_grid_sizez
+amr.blocking_factor = blocking_factor
+amr.refine_grid_layout = 1  # if n_MPI > n_grids, the grids will be successively divided in half until n_MPI <= n_grids
+
+geometry.dims = 3
+geometry.prob_lo = prob_lox prob_loy prob_loz
+geometry.prob_hi = prob_hix prob_hiy prob_hiz
+
+amr.max_level = 0
+
+# use pec instead of pml overlaying current source so you don't get a reflection
+boundary.field_lo = pml pml pml
+boundary.field_hi = pml pml pml
+
+my_constants.offset_y = -1100.e-6
+
+#################################
+############ NUMERICS ###########
+#################################
+warpx.verbose = 1
+
+warpx.cfl = 0.8
+
+# vacuum or macroscopic
+algo.em_solver_medium = macroscopic
+
+# laxwendroff or backwardeuler
+algo.macroscopic_sigma_method = laxwendroff
+
+##########################################
+# sigma
+
+# sigma is still parsed in the PML region
+macroscopic.sigma_function(x,y,z) = "sigma_0 + (sigma_si - sigma_0) * (z <= h_si)"
+
+# GDS file for sigma layer
+macroscopic.sigma_npy_file = "/pscratch/sd/y/ytang4/Artemis_solver_veri_gds_2d/artemis/Bin/array_3d_gds_new_large_8_qubit.npy"
+
+# k index of where to deposit conductivity from sigma npy file
+macroscopic.npy_k_index = 10
+
+# enable use of PEC mask layer from sigma in valid region
+algo.use_PEC_mask = 0
+
+##########################################
+
+macroscopic.epsilon_function(x,y,z) = "eps_0 + eps_0 * (eps_r_si - 1.) * (z <= h_si)"
+
+macroscopic.mu_function(x,y,z) = "mu_0 + mu_0 * (mu_r_si - 1.) * (z <= h_si)"
+
+#################################
+############ FIELDS #############
+#################################
+
+###############
+# domain size
+# n_cellx/y/z and Lx/y/z are needed to calculate dx/dy/dz
+###############
+my_constants.n_cellx = 3800
+my_constants.n_celly = 3800
+my_constants.n_cellz = 20
+
+my_constants.max_grid_sizex = 3800
+my_constants.max_grid_sizey = 3800
+my_constants.max_grid_sizez = 20
+my_constants.blocking_factor = 2
+
+my_constants.prob_lox = 0.
+my_constants.prob_loy = 0.
+my_constants.prob_loz = 0.
+
+my_constants.prob_hix = 9500.e-6
+my_constants.prob_hiy = 9500.e-6
+my_constants.prob_hiz = 200.e-6
+
+my_constants.Lx = prob_hix - prob_lox
+my_constants.Ly = prob_hiy - prob_loy
+my_constants.Lz = prob_hiz - prob_loz
+
+###############
+# material properties
+###############
+my_constants.sigma_0 = 0.0
+my_constants.sigma_si = 0.
+my_constants.sigma_metal = 1.e11
+
+my_constants.eps_0 = 8.8541878128e-12
+my_constants.eps_r_si = 11.7
+
+my_constants.mu_0 = 1.25663706212e-06
+my_constants.mu_r_si = 1.0
+my_constants.mu_r_test = 0.9999
+
+###############
+# silicon and palladium cross section
+###############
+my_constants.h_si = 100.e-6
+
+###############
+# waveguide port parameters
+###############
+my_constants.h_port = 100.e-6
+my_constants.w_port = 200.e-6
+
+###############
+# derived quantities and fundamental constants - don't touch these
+###############
+
+my_constants.pi = 3.14159265358979
+
+my_constants.freq = 8.6e9
+my_constants.TP = 1./freq
+
+# grid spacing
+my_constants.dx = Lx / n_cellx
+my_constants.dy = Ly / n_celly
+my_constants.dz = Lz / n_cellz
+
+my_constants.ddx = dx/1.e6
+my_constants.ddy = dy/1.e6
+my_constants.ddz = dz/1.e6
+
+my_constants.flag_none = 0
+my_constants.flag_hs = 1
+my_constants.flag_ss = 2
+
+###############
+# excitation
+###############
+
+warpx.E_excitation_on_grid_style = parse_E_excitation_grid_function
+
+warpx.Ex_excitation_flag_function(x,y,z) = "flag_none"
+warpx.Ey_excitation_flag_function(x,y,z) = "flag_ss * ( (y >= 470.e-6 + ddy) * (y < 475.e-6 - ddy) + (y >= 485e-6 + ddy) * (y <= 490e-6 - ddy)) * (z > h_si + ddz ) * (z <= h_si + dz + ddz) * (x > 0.e-6 - ddx) * (x < 0.e-6 + ddx)"
+warpx.Ez_excitation_flag_function(x,y,z) = "flag_none"
+
+
+# This is a source on a qubit control line
+warpx.Ex_excitation_grid_function(x,y,z,t) = "0."                                                                                                                                                                                                      
+warpx.Ey_excitation_grid_function(x,y,z,t) = "exp(-(t-3*TP)**2/(2*TP**2))*sin(2*pi*freq*t) *
+                                                      ( (y >= 470.e-6 + ddy) * (y < 475.e-6 - ddy) - (y >= 485e-6 + ddy) * (y <= 490e-6 - ddy)) * (z > h_si + ddz) * (z <= h_si + dz + ddz) * (x > 0.e-6 - ddx) * (x < 0.e-6 + ddx)"
+warpx.Ez_excitation_grid_function(x,y,z,t) = "0."
+
+###############
+# diagnostics
+###############
+
+diagnostics.diags_names = plt
+###############
+# full plotfiles
+plt.intervals = 5
+plt.fields_to_plot = Ex Ey Ez Bx By Bz sigma mu epsilon
+plt.diag_type = Full
+plt.file_min_digits = 7

GNUmakefile

@@ -46,3 +46,5 @@ USE_EB = FALSE
 
 WARPX_HOME := .
 include $(WARPX_HOME)/Source/Make.WarpX
+
+LIBRARIES += -lz

Source/BoundaryConditions/PML.cpp

@@ -706,10 +706,16 @@ PML::PML (const int lev, const BoxArray& grid_ba, const DistributionMapping& gri
         // Initialize sigma, conductivity
         if (macroscopic_properties->m_sigma_s == "constant") {
             pml_sigma_fp->setVal(macroscopic_properties->m_sigma);
-        } else if (macroscopic_properties->m_sigma_s == "parse_sigma_function") {
+        }
+        if (macroscopic_properties->m_sigma_s == "parse_sigma_function" ||
+            macroscopic_properties->m_sigma_s == "parse_sigma_both") {
             macroscopic_properties->InitializeMacroMultiFabUsingParser(pml_sigma_fp.get(),
                 macroscopic_properties->m_sigma_parser->compile<3>(), lev);
         }
+        if (macroscopic_properties->m_sigma_s == "parse_sigma_npy_file" ||
+            macroscopic_properties->m_sigma_s == "parse_sigma_both") {
+            macroscopic_properties->InitializeMacroMultiFabFromNumpy(pml_sigma_fp.get(), macroscopic_properties->m_sigma_npy_filename, lev, macroscopic_properties->m_npy_k_index);
+        }
 
         // Initialize epsilon, permittivity
         if (macroscopic_properties->m_epsilon_s == "constant") {
@@ -875,7 +881,8 @@ PML::PML (const int lev, const BoxArray& grid_ba, const DistributionMapping& gri
             // Initialize sigma, conductivity
             if (macroscopic_properties->m_sigma_s == "constant") {
                 pml_sigma_cp->setVal(macroscopic_properties->m_sigma);
-            } else if (macroscopic_properties->m_sigma_s == "parse_sigma_function") {
+            } else if (macroscopic_properties->m_sigma_s == "parse_sigma_function" ||
+                       macroscopic_properties->m_sigma_s == "parse_sigma_both") {
                 macroscopic_properties->InitializeMacroMultiFabUsingParser(pml_sigma_cp.get(),
                     macroscopic_properties->m_sigma_parser->compile<3>(), lev);
             }

Source/Evolve/WarpXEvolve.cpp

@@ -549,6 +549,19 @@ WarpX::OneStep_nosub (Real cur_time)
             ApplyExternalFieldExcitationOnGrid(ExternalFieldType::EfieldExternalPML);
         }
 
+        if (use_PEC_mask) {
+            // multiply E field by PEC mask
+            amrex::MultiFab& Ex = *Efield_fp[0][0].get();
+            amrex::MultiFab& Ey = *Efield_fp[0][1].get();
+            amrex::MultiFab& Ez = *Efield_fp[0][2].get();
+            amrex::MultiFab& PECx = *PEC_fp[0][0].get();
+            amrex::MultiFab& PECy = *PEC_fp[0][1].get();
+            amrex::MultiFab& PECz = *PEC_fp[0][2].get();
+            MultiFab::Multiply(Ex, PECx, 0, 0, 1, 0);
+            MultiFab::Multiply(Ey, PECy, 0, 0, 1, 0);
+            MultiFab::Multiply(Ez, PECz, 0, 0, 1, 0);
+        }
+
         EvolveF(0.5_rt * dt[0], DtType::SecondHalf);
         EvolveG(0.5_rt * dt[0], DtType::SecondHalf);
 #ifndef WARPX_MAG_LLG

Source/FieldSolver/FiniteDifferenceSolver/MacroscopicProperties/MacroscopicProperties.H

@@ -56,7 +56,19 @@ public:
                                   amrex::ParserExecutor<3> const& macro_parser,
                                   const int lev);
 
-     /** Gpu Vector with index type of the conductivity multifab */
+    void InitializeMacroMultiFabFromNumpy (amrex::MultiFab* macro_mf,
+                                  const std::string& npy_filename,
+                                  const int lev,
+                                  const int m_npy_k_index_in);
+
+    void InitializePECFromSigma (amrex::MultiFab* sigma_mf,
+                                 amrex::MultiFab* PECx,
+                                 amrex::MultiFab* PECy,
+                                 amrex::MultiFab* PECz,
+                                 const int lev,
+                                 const int m_npy_k_index_in);
+
+    /** Gpu Vector with index type of the conductivity multifab */
      amrex::GpuArray<int, 3> sigma_IndexType;
      /** Gpu Vector with index type of the permittivity multifab */
      amrex::GpuArray<int, 3> epsilon_IndexType;
@@ -87,6 +99,11 @@ public:
      amrex::Real m_epsilon = PhysConst::ep0;
      /** Permeability, mu, of the medium */
      amrex::Real m_mu = PhysConst::mu0;
+     /** index to insert the mask */
+     int m_npy_k_index = 0;
+     std::string m_sigma_npy_filename;
+     std::string m_epsilon_npy_filename;
+     std::string m_mu_npy_filename;
      /** Parser Wrappers */
      std::unique_ptr<amrex::Parser> m_sigma_parser;
      std::unique_ptr<amrex::Parser> m_epsilon_parser;
@@ -123,7 +140,7 @@ public:
      int getmag_max_iter () {return m_mag_max_iter;}
      amrex::Real getmag_tol () {return m_mag_tol;}
 
-     // interpolate the magnetic properties to B locations
+    // interpolate the magnetic properties to B locations
      // magnetic properties are cell nodal
      // B locations are face centered
      // iv is an IntVect with a 1 in the face direction of interest, and 0 in the others