Debug NVHPC GPU & Chemistry GPU fixes

CMakeLists.txt

@@ -55,24 +55,25 @@ compiler (or a different version thereof), please:\n\
  - Install the compiler or load its module. (e.g. module load gcc/10.1)\n\
  - Set/Export the C, CXX, and FC environment variables. (e.g. 'export CC=gcc', \
  'export CXX=g++', and 'export FC=gfortran'.\n\
- - If using mfc.sh, delete the build/<code name> directory and try again. (e.g. 'rm -rf build/pre_process')\n")
+ - If using mfc.sh, delete the build/<code name> directory and try again. (e.g. 'rm -rf build/pre_process')")
 
 if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
     if (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 5)
-        message(FATAL_ERROR "${__err_msg}ERROR: GNU v5.0 or newer is required to build MFC.")
+        message(FATAL_ERROR "ERROR: GNU v5.0 or newer is required to build MFC.\n${__err_msg}")
     endif()
     if (MFC_OpenACC)
-        message(FATAL_ERROR "${__err_msg}ERROR: MFC with GPU processing is not currently compatible with GNU compilers. Please use NVIDIA or Cray compilers.")
+        message(FATAL_ERROR "ERROR: MFC with GPU processing is not currently compatible with GNU compilers. Please use NVIDIA or Cray compilers.\n${__err_msg}")
     endif()
 elseif ((CMAKE_Fortran_COMPILER_ID STREQUAL "NVHPC") OR (CMAKE_Fortran_COMPILER_ID STREQUAL "PGI"))
     if (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 21.7)
-        message(FATAL_ERROR "${__err_msg}ERROR: When using NVHPC, v21.7 or newer is required to build MFC.")
+        message(FATAL_ERROR "ERROR: When using NVHPC, v21.7 or newer is required to build MFC.\n${__err_msg}")
     endif()
-    if ((CMAKE_BUILD_TYPE STREQUAL "Debug") AND MFC_OpenACC)
-        message(FATAL_ERROR "${__err_msg}ERROR: When using NVHPC, MFC with Debug and GPU options is unavailable.")
+
+    if ((CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 23.11) AND (CMAKE_BUILD_TYPE STREQUAL "Debug") AND MFC_OpenACC)
+        message(FATAL_ERROR "ERROR: When using NVHPC, MFC with Debug and GPU options requires NVHPC v23.11 or newer.\n${__err_msg}")
     endif()
 elseif (CMAKE_Fortran_COMPILER_ID STREQUAL "AppleClang" OR CMAKE_C_COMPILER_ID STREQUAL "AppleClang")
-    message(FATAL_ERROR "${__err_msg}ERROR: MFC does not support the Apple Clang compilers. Please consult the documentation.")
+    message(FATAL_ERROR "ERROR: MFC does not support the Apple Clang compilers. Please consult the documentation.\n${__err_msg}")
 endif()
 
 # Fypp is required to build MFC. We try to locate it. The path to the binary is
@@ -188,7 +189,7 @@ elseif ((CMAKE_Fortran_COMPILER_ID STREQUAL "NVHPC") OR (CMAKE_Fortran_COMPILER_
     endif()
 
     if (CMAKE_BUILD_TYPE STREQUAL "Debug")
-        add_compile_options(-C -g -O0 -traceback -Mchkptr -Minform=inform -Mbounds)
+        add_compile_options(-C -g -O0 -traceback -Minform=inform -Mbounds)
     endif()
 
     if (DEFINED ENV{MFC_CUDA_CC})

src/common/m_variables_conversion.fpp

@@ -182,6 +182,7 @@ contains
             end if
 
         #:else
+            !$acc loop seq
             do i = 1, num_species
                 Y_rs(i) = rhoYks(i)/rho
             end do
@@ -905,7 +906,7 @@ contains
             end if
         #:endif
 
-        !$acc parallel loop collapse(3) gang vector default(present) private(alpha_K, alpha_rho_K, Re_K, nRtmp, rho_K, gamma_K, pi_inf_K, qv_K, dyn_pres_K, R3tmp)
+        !$acc parallel loop collapse(3) gang vector default(present) private(alpha_K, alpha_rho_K, Re_K, nRtmp, rho_K, gamma_K, pi_inf_K, qv_K, dyn_pres_K, R3tmp, rhoyks)
         do l = izb, ize
             do k = iyb, iye
                 do j = ixb, ixe
@@ -993,6 +994,7 @@ contains
                     end do
 
                     if (chemistry) then
+                        !$acc loop seq
                         do i = 1, num_species
                             rhoYks(i) = qK_cons_vf(chemxb + i - 1)%sf(j, k, l)
                         end do

src/simulation/m_rhs.fpp

@@ -769,7 +769,7 @@ contains
             end do
         end do
 
-        !$acc parallel loop collapse(4) gang vector default(present)
+        !$acc parallel loop default(present)
         do i = 1, sys_size
             rhs_vf(i)%sf(:, :, :) = 0d0
         end do