Merge pull request #238 from ekluzek/derecho_gnu_mpiserial

Some changes for mpi-serial with the gnu compiler on Derecho

Author: jedwards4b

machines/derecho/config_machines.xml

@@ -46,6 +46,7 @@
         <command name="load">craype</command>
         <command name="load">cmake</command>
       </modules>
+      <!-- gnu is for a slightly older NCAR environment and compiler -->
       <modules compiler="gnu">
         <command name="load">cesmdev/1.0</command>
         <command name="load">ncarenv/23.09</command>
@@ -66,7 +67,7 @@
       </modules>
       <modules compiler="gnu">
         <command name="load">gcc/12.2.0</command>
-        <command name="load">cray-libsci/23.09.1.1</command>
+        <command name="load">cray-libsci/23.02.1.1</command>
       </modules>
       <modules compiler="nvhpc">
         <command name="load">nvhpc/25.1</command>
@@ -89,11 +90,19 @@
         <command name="load">cuda/12.2.1</command>
       </modules>
 
-      <modules mpilib="mpi-serial">
-        <command name="load">mpi-serial/2.5.0</command>
+      <!-- NetCDF, mpi-serial if NOT full MPI and pnetcdf libraries -->
+
+      <!-- libraries with mpi-serial MPI library and NON gnu and then gnu compiler -->
+      <modules mpilib="mpi-serial" compiler="!gnu">
         <command name="load">netcdf/4.9.3</command>
+        <command name="load">mpi-serial/2.5.0</command>
+      </modules>
+      <modules mpilib="mpi-serial" compiler="gnu">
+        <command name="load">netcdf/4.9.2</command>
+        <command name="load">mpi-serial/2.3.0</command>
       </modules>
 
+      <!-- libraries with full MPI library and NON gnu and then gnu compiler -->
       <modules mpilib="!mpi-serial" compiler="!gnu">
         <command name="load">netcdf-mpi/4.9.3</command>
         <command name="load">parallel-netcdf/1.14.0</command>
@@ -103,28 +112,33 @@
         <command name="load">parallel-netcdf/1.12.3</command>
       </modules>
 
-      <modules compiler="!gnu">
-        <command name="load">parallelio/2.6.6</command>
-        <command name="load">esmf/8.8.1</command>
+      <!-- PIO and ESMF libraries -->
+
+      <!-- DEBUG for mpi-serial with GNU compiler requires the omission of -debug from PIO and ESMF -->
+      <!-- this is likely a problem with the build for these libraries as they seem to have been built with a full mpi library -->
+      <modules DEBUG="TRUE" mpilib="mpi-serial" compiler="gnu">
+        <command name="load">parallelio/2.6.2</command>
+        <command name="load">esmf/8.6.0</command>
       </modules>
-      <modules DEBUG="TRUE"  compiler="gnu">
-        <command name="load">parallelio/2.6.2-debug</command>
-        <command name="load">esmf/8.6.0-debug</command>
+      <modules DEBUG="TRUE" mpilib="!mpi-serial" compiler="gnu">
+         <command name="load">esmf/8.6.0-debug</command>
+         <command name="load">parallelio/2.6.2-debug</command>
       </modules>
       <modules DEBUG="FALSE" compiler="gnu">
         <command name="load">parallelio/2.6.2</command>
         <command name="load">esmf/8.6.0</command>
       </modules>
 
-      <modules DEBUG="TRUE" mpilib="mpi-serial" compiler="!gnu">
-        <command name="load">parallelio/2.6.6-debug</command>
-        <command name="load">esmf/8.8.1-debug</command>
+      <!-- DEBUG FALSE and then true: with any MPI and NOT gnu compiler -->
+      <modules DEBUG="FALSE" compiler="!gnu">
+        <command name="load">parallelio/2.6.6</command>
+        <command name="load">esmf/8.8.1</command>
       </modules>
-
-      <modules DEBUG="TRUE" mpilib="!mpi-serial" compiler="!gnu">
+      <modules DEBUG="TRUE" compiler="!gnu">
         <command name="load">parallelio/2.6.6-debug</command>
         <command name="load">esmf/8.8.1-debug</command>
       </modules>
+
     </module_system>
 
     <environment_variables>