Add an option of ' --mpilib openmpi-amanzitpls', third-party-libs fro…

…m AMANZI-tpls for coupling ELM-ATS-alquimia-PFLOTRAN, available on ORNL cades-baseline.
thorntonpe · Sep 5, 2024 · d40f5f5 · d40f5f5
1 parent a9f7d01
commit d40f5f5
Showing 1 changed file with 25 additions and 2 deletions.
diff --git a/cime_config/machines/config_machines.xml b/cime_config/machines/config_machines.xml
@@ -4179,7 +4179,7 @@
     <NODENAME_REGEX>.*baseline.*</NODENAME_REGEX>
     <OS>LINUX</OS>
     <COMPILERS>gnu</COMPILERS>
-    <MPILIBS>openmpi,mpi-serial</MPILIBS>
+    <MPILIBS>openmpi,openmpi-amanzitpls,mpi-serial</MPILIBS>
     <CIME_OUTPUT_ROOT>/gpfs/wolf2/cades/cli185/scratch/$USER</CIME_OUTPUT_ROOT>
     <DIN_LOC_ROOT>/gpfs/wolf2/cades/cli185/world-shared/e3sm/inputdata</DIN_LOC_ROOT>
     <DIN_LOC_ROOT_CLMFORC>/gpfs/wolf2/cades/cli185/world-shared/e3sm/inputdata/atm/datm7</DIN_LOC_ROOT_CLMFORC>
@@ -4200,6 +4200,12 @@
         <arg name="num_tasks"> -n {{ total_tasks }}</arg>
       </arguments>
     </mpirun>
+    <mpirun mpilib="openmpi-amanzitpls" compiler="gnu">
+      <executable>srun</executable>
+      <arguments>
+        <arg name="num_tasks"> -n {{ total_tasks }}</arg>
+      </arguments>
+    </mpirun>
     <mpirun mpilib="mpi-serial">
       <executable> </executable>
     </mpirun>
@@ -4218,6 +4224,7 @@
         <command name="load">python/3.11-anaconda3</command>
 	    <command name="load">cmake/3.26.3</command>
       </modules>
+
       <modules compiler="gnu" mpilib="openmpi">
 	    <command name="load">DefApps</command>
 	    <command name="load">gcc/12.2.0</command>
@@ -4229,6 +4236,15 @@
         <command name="load">netcdf-fortran/4.6.1-h5f</command>
         <command name="load">parallel-netcdf/1.12.3</command>
       </modules>
+
+      <modules compiler="gnu" mpilib="openmpi-amanzitpls">
+        <command name="load">DefApps</command>
+        <command name="load">gcc/12.2.0</command>
+        <command name="load">openmpi/4.0.4</command>
+        <command name="load">openblas/0.3.23</command>
+        <command name="load">ats/tpls-0.98.9+master/cades-baseline/openblas-0.3.23-openmpi-4.0.4-gcc-12.2.0/opt</command>
+      </modules>
+
       <!--
       <modules compiler="gnu" mpilib="mpi-serial">
         <command name="load">nco</comand>
@@ -4255,7 +4271,14 @@
       <env name="PNETCDF_PATH">$ENV{OLCF_PARALLEL_NETCDF_ROOT}</env>
       <env name="BLASLAPACK_LIBDIR">$ENV{OLCF_NETLIB_LAPACK_ROOT}/lib64</env>
     </environment_variables>
-
+    <environment_variables compiler="gnu" mpilib="openmpi-amanzitpls">
+      <env name="PETSC_PATH">/ccsopen/proj/cli185/ats-dev/amanzi-tpls/install/tpls-0.98.9/cades-baseline/openblas-0.3.23-openmpi-4.0.4-gcc-12.2.0/opt/petsc-3.20/</env>
+      <env name="PATH">/ccsopen/home/zdr/opt/perl/bin:$ENV{PATH}/</env>
+      <env name="HDF5_ROOT">/ccsopen/proj/cli185/ats-dev/amanzi-tpls/install/tpls-0.98.9/cades-baseline/openblas-0.3.23-openmpi-4.0.4-gcc-12.2.0/opt</env>
+      <env name="NETCDF_C_PATH">/ccsopen/proj/cli185/ats-dev/amanzi-tpls/install/tpls-0.98.9/cades-baseline/openblas-0.3.23-openmpi-4.0.4-gcc-12.2.0/opt</env>
+      <env name="NETCDF_FORTRAN_PATH">/ccsopen/proj/cli185/ats-dev/amanzi-tpls/install/tpls-0.98.9/cades-baseline/openblas-0.3.23-openmpi-4.0.4-gcc-12.2.0/opt</env>
+    </environment_variables>
+
   </machine>
 
   <machine MACH="chicoma-cpu">