Add Runtime Environment Query Functions

include/gauxc/enums.hpp

@@ -51,5 +51,11 @@ enum class ExecutionSpace {
   Device ///< Execute task on the device (e.g. GPU)
 };
 
+/// Supported Algorithms / Integrands
+enum class SupportedAlg {
+  XC,
+  DEN,
+  SNLINK
+};
 
 } // namespace GauXC

include/gauxc/gauxc_config.hpp.in

@@ -18,7 +18,16 @@
 #cmakedefine GAUXC_HAS_HDF5
 #cmakedefine GAUXC_USE_FAST_RSQRT
 
+#ifdef GAUXC_HAS_HOST
+#cmakedefine GAUXC_CPU_XC_MAX_AM     @GAUXC_CPU_XC_MAX_AM@
+#cmakedefine GAUXC_CPU_SNLINK_MAX_AM @GAUXC_CPU_SNLINK_MAX_AM@
+#endif
+
 #cmakedefine GAUXC_HAS_DEVICE
+#ifdef GAUXC_HAS_DEVICE
+#cmakedefine GAUXC_GPU_XC_MAX_AM     @GAUXC_GPU_XC_MAX_AM@
+#cmakedefine GAUXC_GPU_SNLINK_MAX_AM @GAUXC_GPU_SNLINK_MAX_AM@
+#endif
 
 #if defined(__CUDACC__) || defined(__HIPCC__)
   #define HOST_DEVICE_ACCESSIBLE __host__ __device__

include/gauxc/util/environment.hpp

@@ -0,0 +1,42 @@
+/**
+ * GauXC Copyright (c) 2020-2024, The Regents of the University of California,
+ * through Lawrence Berkeley National Laboratory (subject to receipt of
+ * any required approvals from the U.S. Dept. of Energy). All rights reserved.
+ *
+ * See LICENSE.txt for details
+ */
+#pragma once
+#include <gauxc/gauxc_config.hpp>
+#include <gauxc/enums.hpp>
+
+namespace GauXC {
+
+inline int gauxc_max_am(ExecutionSpace ex, SupportedAlg alg) {
+  switch(ex) {
+    #ifdef GAUXC_HAS_HOST
+    case ExecutionSpace::Host:
+      switch(alg) {
+        case SupportedAlg::XC: 
+        case SupportedAlg::DEN: 
+          return GAUXC_CPU_XC_MAX_AM;
+        case SupportedAlg::SNLINK:
+          return GAUXC_CPU_SNLINK_MAX_AM;
+        default: return -1;
+      }
+    #endif
+    #ifdef GAUXC_HAS_DEVICE
+    case ExecutionSpace::Device:
+      switch(alg) {
+        case SupportedAlg::XC: 
+        case SupportedAlg::DEN: 
+          return GAUXC_GPU_XC_MAX_AM;
+        case SupportedAlg::SNLINK:
+          return GAUXC_GPU_SNLINK_MAX_AM;
+        default: return -1;
+      }
+    #endif
+    default: return -1;
+  }
+}
+
+}

src/CMakeLists.txt

@@ -100,6 +100,17 @@ add_subdirectory( external )
 
 add_library( gauxc::gauxc ALIAS gauxc )
 
+
+if(GAUXC_HAS_HOST)
+  set(GAUXC_CPU_XC_MAX_AM     6) 
+  set(GAUXC_CPU_SNLINK_MAX_AM 6)
+endif()
+
+if(GAUXC_HAS_DEVICE)
+  set(GAUXC_GPU_XC_MAX_AM     4) 
+  set(GAUXC_GPU_SNLINK_MAX_AM 2)
+endif()
+
 # Generate config file
 configure_file( 
   ${PROJECT_SOURCE_DIR}/include/gauxc/gauxc_config.hpp.in
@@ -151,10 +162,10 @@ set_target_properties(gauxc
     "GAUXC_HAS_MPI"        ${GAUXC_HAS_MPI}
     "GAUXC_HAS_OPENMP"     ${GAUXC_HAS_OPENMP}
     "GAUXC_HAS_HDF5"       ${GAUXC_HAS_HDF5}
-    "GAUXC_CPU_XC_MAX_AM"     6 
-    "GAUXC_CPU_SNLINK_MAX_AM" 6
-    "GAUXC_GPU_XC_MAX_AM"     4 
-    "GAUXC_GPU_SNLINK_MAX_AM" 2
+    "GAUXC_CPU_XC_MAX_AM"     ${GAUXC_CPU_XC_MAX_AM}     
+    "GAUXC_CPU_SNLINK_MAX_AM" ${GAUXC_CPU_SNLINK_MAX_AM}
+    "GAUXC_GPU_XC_MAX_AM"     ${GAUXC_GPU_XC_MAX_AM}     
+    "GAUXC_GPU_SNLINK_MAX_AM" ${GAUXC_GPU_SNLINK_MAX_AM}
 )
 set_property(TARGET gauxc APPEND PROPERTY EXPORT_PROPERTIES "${export_properties}")
 

tests/CMakeLists.txt

@@ -54,6 +54,7 @@ add_executable( gauxc_test
   basisset_test.cxx 
   load_balancer_test.cxx 
   xc_integrator.cxx 
+  environment.cxx
   collocation.cxx
   weights.cxx
   standards.cxx 

tests/environment.cxx

@@ -0,0 +1,46 @@
+/**
+ * GauXC Copyright (c) 2020-2024, The Regents of the University of California,
+ * through Lawrence Berkeley National Laboratory (subject to receipt of
+ * any required approvals from the U.S. Dept. of Energy). All rights reserved.
+ *
+ * See LICENSE.txt for details
+ */
+#include "ut_common.hpp"
+#include <gauxc/util/environment.hpp>
+
+using namespace GauXC;
+TEST_CASE("Environment", "[env]") {
+
+  SECTION("Host") {
+    auto xc  = gauxc_max_am(ExecutionSpace::Host, SupportedAlg::XC    );
+    auto den = gauxc_max_am(ExecutionSpace::Host, SupportedAlg::DEN   );
+    auto snk = gauxc_max_am(ExecutionSpace::Host, SupportedAlg::SNLINK);
+
+#ifdef GAUXC_HAS_HOST
+    REQUIRE(xc  == GAUXC_CPU_XC_MAX_AM);
+    REQUIRE(den == GAUXC_CPU_XC_MAX_AM);
+    REQUIRE(snk == GAUXC_CPU_SNLINK_MAX_AM);
+#else
+    REQUIRE(xc  == -1);
+    REQUIRE(den == -1);
+    REQUIRE(snk == -1);
+#endif
+  }
+
+  SECTION("Device") {
+    auto xc  = gauxc_max_am(ExecutionSpace::Device, SupportedAlg::XC    );
+    auto den = gauxc_max_am(ExecutionSpace::Device, SupportedAlg::DEN   );
+    auto snk = gauxc_max_am(ExecutionSpace::Device, SupportedAlg::SNLINK);
+
+#ifdef GAUXC_HAS_DEVICE
+    REQUIRE(xc  == GAUXC_GPU_XC_MAX_AM);
+    REQUIRE(den == GAUXC_GPU_XC_MAX_AM);
+    REQUIRE(snk == GAUXC_GPU_SNLINK_MAX_AM);
+#else
+    REQUIRE(xc  == -1);
+    REQUIRE(den == -1);
+    REQUIRE(snk == -1);
+#endif
+  }
+
+}