Compilation fixes for NVHPC 22.5.

Author: olupton

coreneuron/CMakeLists.txt

@@ -120,16 +120,9 @@ if(CORENRN_ENABLE_GPU)
 endif()
 
 # =============================================================================
-# eion.cpp depends on CORENRN_USE_LEGACY_UNITS
+# CORENEURON_USE_LEGACY_UNITS is used in membfunc.hpp so define it everywhere
 # =============================================================================
-set(LegacyFR_FILES
-    ${CMAKE_CURRENT_SOURCE_DIR}/mechanism/eion.cpp ${CMAKE_CURRENT_SOURCE_DIR}/apps/main1.cpp
-    ${CMAKE_CURRENT_SOURCE_DIR}/io/global_vars.cpp)
-
-set_property(
-  SOURCE ${LegacyFR_FILES}
-  APPEND
-  PROPERTY COMPILE_DEFINITIONS "CORENRN_USE_LEGACY_UNITS=${CORENRN_USE_LEGACY_UNITS}")
+add_compile_definitions(CORENEURON_USE_LEGACY_UNITS=${CORENRN_USE_LEGACY_UNITS})
 
 # =============================================================================
 # create libraries

coreneuron/apps/main1.cpp

@@ -1,6 +1,6 @@
 /*
 # =============================================================================
-# Copyright (c) 2016 - 2021 Blue Brain Project/EPFL
+# Copyright (c) 2016 - 2022 Blue Brain Project/EPFL
 #
 # See top-level LICENSE file for details.
 # =============================================================================.
@@ -51,9 +51,9 @@ const char* corenrn_version() {
     return coreneuron::bbcore_write_version;
 }
 
-// the CORENRN_USE_LEGACY_UNITS determined by CORENRN_ENABLE_LEGACY_UNITS
+// the CORENEURON_USE_LEGACY_UNITS determined by CORENRN_ENABLE_LEGACY_UNITS
 bool corenrn_units_use_legacy() {
-    return CORENRN_USE_LEGACY_UNITS;
+    return CORENEURON_USE_LEGACY_UNITS;
 }
 
 void (*nrn2core_part2_clean_)();
@@ -562,8 +562,7 @@ extern "C" int run_solve_core(int argc, char** argv) {
     }
 #endif
     bool compute_gpu = corenrn_param.gpu;
-
-    nrn_pragma_acc(update device(celsius, secondorder, pi) if (compute_gpu))
+    nrn_pragma_acc(data copyin(celsius, secondorder, pi) if (compute_gpu))
     nrn_pragma_omp(target update to(celsius, secondorder, pi) if (compute_gpu))
     {
         double v = corenrn_param.voltage;

coreneuron/io/global_vars.cpp

@@ -142,7 +142,7 @@ void set_globals(const char* path, bool cli_global_seed, int cli_global_seed_val
                 } else if (strcmp(name, "Random123_globalindex") == 0) {
                     nrnran123_set_globalindex((uint32_t) n);
                 } else if (strcmp(name, "_nrnunit_use_legacy_") == 0) {
-                    if (n != CORENRN_USE_LEGACY_UNITS) {
+                    if (n != CORENEURON_USE_LEGACY_UNITS) {
                         hoc_execerror(
                             "CORENRN_ENABLE_LEGACY_UNITS not"
                             " consistent with NEURON value of"

coreneuron/mechanism/eion.cpp

@@ -1,6 +1,6 @@
 /*
 # =============================================================================
-# Copyright (c) 2016 - 2021 Blue Brain Project/EPFL
+# Copyright (c) 2016 - 2022 Blue Brain Project/EPFL
 #
 # See top-level LICENSE file for details.
 # =============================================================================.
@@ -154,23 +154,9 @@ the USEION statement of any model using this ion\n",
     }
 }
 
-#ifndef CORENRN_USE_LEGACY_UNITS
-#define CORENRN_USE_LEGACY_UNITS 0
-#endif
-
-#if CORENRN_USE_LEGACY_UNITS == 1
-#define FARADAY     96485.309
-#define gasconstant 8.3134
-#else
-#include "coreneuron/nrnoc/nrnunits_modern.h"
-#define FARADAY     _faraday_codata2018
-#define gasconstant _gasconstant_codata2018
-#endif
-
-#define ktf (1000. * gasconstant * (celsius + 273.15) / FARADAY)
-
-double nrn_nernst(double ci, double co, double z, double celsius) {
-    /*printf("nrn_nernst %g %g %g\n", ci, co, z);*/
+// std::log isn't constexpr, but there are argument values for which nrn_nernst
+// is a constant expression
+constexpr double nrn_nernst(double ci, double co, double z, double celsius) {
     if (z == 0) {
         return 0.;
     }
@@ -179,7 +165,7 @@ double nrn_nernst(double ci, double co, double z, double celsius) {
     } else if (co <= 0.) {
         return -1e6;
     } else {
-        return ktf / z * log(co / ci);
+        return ktf(celsius) / z * std::log(co / ci);
     }
 }
 
@@ -200,24 +186,8 @@ void nrn_wrote_conc(int type,
         pe[0] = nrn_nernst(pe[1 * _STRIDE], pe[2 * _STRIDE], gimap[type][2], celsius);
     }
 }
-
-static double efun(double x) {
-    if (fabs(x) < 1e-4) {
-        return 1. - x / 2.;
-    } else {
-        return x / (exp(x) - 1);
-    }
-}
-
 nrn_pragma_omp(end declare target)
 
-double nrn_ghk(double v, double ci, double co, double z) {
-    double temp = z * v / ktf;
-    double eco = co * efun(temp);
-    double eci = ci * efun(-temp);
-    return (.001) * z * FARADAY * (eci - eco);
-}
-
 #if VECTORIZE
 #define erev   pd[0 * _STRIDE] /* From Eion */
 #define conci  pd[1 * _STRIDE]
@@ -257,7 +227,7 @@ ion_style("name_ion", [c_style, e_style, einit, eadvance, cinit])
 
 double nrn_nernst_coef(int type) {
     /* for computing jacobian element dconc'/dconc */
-    return ktf / charge;
+    return ktf(celsius) / charge;
 }
 
 /* Must be called prior to any channels which update the currents */
@@ -271,7 +241,8 @@ void nrn_cur_ion(NrnThread* nt, Memb_list* ml, int type) {
     pd = ml->data;
     ppd = ml->pdata;
     // clang-format off
-    nrn_pragma_acc(parallel loop present(pd[0:_cntml_padded * 5],
+    nrn_pragma_acc(parallel loop present(celsius,
+                                         pd[0:_cntml_padded * 5],
                                          ppd[0:_cntml_actual],
                                          nrn_ion_global_map[0:nrn_ion_global_map_size]
                                                            [0:ion_global_map_member_size])
@@ -311,7 +282,8 @@ void nrn_init_ion(NrnThread* nt, Memb_list* ml, int type) {
     // verify if this can be made asynchronous or if there is a strong reason it
     // needs to be like this.
     // clang-format off
-    nrn_pragma_acc(parallel loop present(pd[0:_cntml_padded * 5],
+    nrn_pragma_acc(parallel loop present(celsius,
+                                         pd[0:_cntml_padded * 5],
                                          ppd[0:_cntml_actual],
                                          nrn_ion_global_map[0:nrn_ion_global_map_size]
                                                            [0:ion_global_map_member_size])

coreneuron/mechanism/membfunc.hpp

@@ -1,17 +1,19 @@
 /*
 # =============================================================================
-# Copyright (c) 2016 - 2021 Blue Brain Project/EPFL
+# Copyright (c) 2016 - 2022 Blue Brain Project/EPFL
 #
 # See top-level LICENSE file for details.
 # =============================================================================.
 */
-
 #pragma once
 
-#include <vector>
-
 #include "coreneuron/mechanism/mechanism.hpp"
 #include "coreneuron/utils/offload.hpp"
+#include "coreneuron/utils/units.hpp"
+
+#include <cmath>
+#include <vector>
+
 namespace coreneuron {
 
 using Pfrpdat = Datum* (*) (void);
@@ -112,12 +114,28 @@ extern void nrn_jacob_capacitance(NrnThread*, Memb_list*, int);
 extern void nrn_writes_conc(int, int);
 nrn_pragma_omp(declare target)
 nrn_pragma_acc(routine seq)
-extern void nrn_wrote_conc(int, double*, int, int, double**, double, int);
-nrn_pragma_acc(routine seq)
-double nrn_nernst(double ci, double co, double z, double celsius);
-nrn_pragma_acc(routine seq)
-extern double nrn_ghk(double v, double ci, double co, double z);
+void nrn_wrote_conc(int, double*, int, int, double**, double, int);
 nrn_pragma_omp(end declare target)
+constexpr double ktf(double celsius) {
+    return 1000. * units::gasconstant * (celsius + 273.15) / units::faraday;
+}
+inline double nrn_ghk(double v, double ci, double co, double z, double celsius) {
+    auto const efun = [](double x) {
+        if (std::abs(x) < 1e-4) {
+            return 1. - x / 2.;
+        } else {
+            return x / (std::exp(x) - 1.);
+        }
+    };
+    double const temp{z * v / ktf(celsius)};
+    double const eco{co * efun(+temp)};
+    double const eci{ci * efun(-temp)};
+    return .001 * z * units::faraday * (eci - eco);
+}
+// Overload using the global celsius variable
+inline double nrn_ghk(double v, double ci, double co, double z) {
+    return nrn_ghk(v, ci, co, z, celsius);
+}
 extern void hoc_register_prop_size(int, int, int);
 extern void hoc_register_dparam_semantics(int type, int, const char* name);
 extern void hoc_reg_ba(int, mod_f_t, int);

coreneuron/nrnconf.h

@@ -32,16 +32,10 @@ using Symbol = char;
 #define VEC_AREA(i) (_nt->_actual_area[(i)])
 #define VECTORIZE   1
 
-// extern variables require acc declare
+// Defined in register_mech.cpp
 nrn_pragma_omp(declare target)
-extern double celsius;
-nrn_pragma_acc(declare create(celsius))
-
-extern double pi;
-nrn_pragma_acc(declare create(pi))
-
+extern double celsius, pi;
 extern int secondorder;
-nrn_pragma_acc(declare create(secondorder))
 nrn_pragma_omp(end declare target)
 
 extern double t, dt;

coreneuron/nrnoc/nrnunits_modern.h

@@ -34,9 +34,4 @@ extern void hoc_execerror(const char*, const char*); /* print and abort */
 extern void hoc_warning(const char*, const char*);
 
 extern double hoc_Exp(double x);
-
-// defined in eion.cpp and this file included in translated mod files.
-extern double nrn_nernst(double ci, double co, double z, double celsius);
-extern double nrn_ghk(double v, double ci, double co, double z);
-
 }  // namespace coreneuron

coreneuron/utils/nrnoc_aux.hpp

@@ -0,0 +1,36 @@
+/*
+# =============================================================================
+# Copyright (c) 2016 - 2022 Blue Brain Project/EPFL
+#
+# See top-level LICENSE file for details.
+# =============================================================================
+*/
+#pragma once
+namespace coreneuron::units {
+#if CORENEURON_USE_LEGACY_UNITS == 1
+constexpr double faraday{96485.309};
+constexpr double gasconstant{8.3134};
+#else
+/* NMODL translated MOD files get unit constants typically from
+ * share/lib/nrnunits.lib.in. But there were other source files that hardcode
+ * some of the constants. Here we gather a few modern units into a single place
+ * (but, unfortunately, also in nrnunits.lib.in). Legacy units cannot be
+ * gathered here because they can differ slightly from place to place.
+ *
+ * These come from https://physics.nist.gov/cuu/Constants/index.html.
+ * Termed the "2018 CODATA recommended values", they became available
+ * on 20 May 2019 and replace the 2014 CODATA set.
+ *
+ * See oc/hoc_init.c, nrnoc/eion.c, nrniv/kschan.h
+ */
+namespace detail {
+constexpr double electron_charge{1.602176634e-19};  // coulomb exact
+constexpr double avogadro_number{6.02214076e+23};   // exact
+constexpr double boltzmann{1.380649e-23};           // joule/K exact
+}  // namespace detail
+constexpr double faraday{detail::electron_charge * detail::avogadro_number};  // 96485.33212...
+                                                                              // coulomb/mol
+constexpr double gasconstant{detail::boltzmann * detail::avogadro_number};    // 8.314462618...
+                                                                              // joule/mol-K
+#endif
+}  // namespace coreneuron::units