Merge pull request #282 from xylar/update-to-0.6.0-alpha.1

Update to 0.6.0-alpha.1

Author: xylar

deploy/albany_supported.txt

@@ -4,9 +4,10 @@ anvil, gnu, openmpi
 chicoma-cpu, gnu, mpich
 chrysalis, gnu, openmpi
 compy, gnu, openmpi
-frontier, gnu, mpich
-frontier, gnugpu, mpich
-frontier, crayclang, mpich
-frontier, crayclanggpu, mpich
+frontier, craygnu, mpich
+frontier, craygnu-hipcc, mpich
+frontier, craygnu-mphipcc, mpich
+frontier, craycray, mpich
+frontier, craycray-mphipcc, mpich
 pm-cpu, gnu, mpich
 morpheus, gnu, openmpi

deploy/bootstrap.py

@@ -369,11 +369,12 @@ def _get_compilers_mpis(options):  # noqa: C901
     if mpis is None:
         mpis = list()
         for compiler in compilers:
-            if not config.has_option('deploy', f'mpi_{compiler}'):
+            option = f'mpi_{compiler.replace("-", "_")}'
+            if not config.has_option('deploy', option):
                 raise ValueError(f'Machine config file for {machine} is '
-                                 f'missing mpi_{compiler}, the default MPI '
+                                 f'missing [deploy]/{option}, the default MPI '
                                  f'library for the requested compiler.')
-            mpi = config.get('deploy', f'mpi_{compiler}')
+            mpi = config.get('deploy', option)
             mpis.append(mpi)
 
     supported_compilers = list()
@@ -911,8 +912,8 @@ def _build_spack_libs_env(options, compiler, mpi, env_vars):  # noqa: C901
 
     if scorpio != 'None':
         specs.append(
-            f'"scorpio'
-            f'@{scorpio}+pnetcdf~timing+internal-timing~tools+malloc"')
+            f'"e3sm-scorpio'
+            f'@{scorpio}+mpi~timing~internal-timing~tools+malloc"')
 
     if albany != 'None':
         specs.append(f'"albany@{albany}+mpas"')

deploy/default.cfg

@@ -20,15 +20,15 @@ python = 3.13
 mpi = nompi
 
 # versions of conda packages
-geometric_features = 1.5.0
-mache = 1.27.0
+geometric_features = 1.6.1
+mache = 1.29.0
 conda_moab = 5.5.1
 mpas_tools = 0.36.0
 otps = 2021.10
 parallelio = 2.6.3
 
 # versions of conda or spack packages (depending on machine type)
-esmf = 8.7.0
+esmf = 8.8.0
 metis = 5.1.0
 netcdf_c = 4.9.2
 netcdf_fortran = 4.6.1
@@ -43,4 +43,4 @@ lapack = 3.9.1
 spack_moab = master
 parmetis = 4.0.3
 petsc = 3.19.1
-scorpio = 1.6.5
+scorpio = 1.6.7

deploy/petsc_supported.txt

@@ -7,5 +7,5 @@ chicoma-cpu, gnu, mpich
 chrysalis, intel, openmpi
 chrysalis, gnu, openmpi
 compy, intel, impi
-frontier, gnu, mpich
+frontier, craygnu, mpich
 pm-cpu, gnu, mpich

docs/developers_guide/deploying_spack.md

@@ -40,8 +40,6 @@ MPI libraries and the libraries with another.  This is sometimes necessary,
 since ESMF, MOAB and/or their dependencies can't always be built or don't
 run correctly with all compiler and MPI combinations.  For example, we have
 experienced problems running ESMF built with intel compilers on Perlmutter.
-We are also not able to build ESMF or the Eigen dependency of MOAB using
-`nvidiagpu` compilers.
 
 When we update the versions of any of these packages in Polaris, we also need
 to bump the Polaris version (typically either the major or the minor version)
@@ -60,7 +58,7 @@ environments on share machines because they remain unaffected.
 
 ## Mache
 
-A brief tour of mache. For additional information about mache, check out the 
+A brief tour of mache. For additional information about mache, check out the
 [mache documentation](https://docs.e3sm.org/mache/).
 
 ### Identifying E3SM machines

docs/developers_guide/machines/frontier.md

@@ -1,12 +1,12 @@
 # Frontier
 
-## frontier, gnu
+## frontier, craygnu
 
 If you've set things up for this compiler, you should be able to source a load
 script similar to:
 
 ```bash
-source load_dev_polaris_0.3.0-alpha.1_frontier_gnu_mpich.sh
+source load_dev_polaris_0.6.0-alpha.1_frontier_craygnu_mpich.sh
 ```
 
 Then, you can build the MPAS model with
@@ -15,13 +15,13 @@ Then, you can build the MPAS model with
 make [DEBUG=true] gnu-cray
 ```
 
-## frontier, crayclang
+## frontier, craycray
 
-Similarly to `gnu`, for `crayclang`, if you've set things up right, sourcing
+Similarly to `craygnu`, for `craycray`, if you've set things up right, sourcing
 the load scrip will look something like:
 
 ```bash
-source load_dev_polaris_0.3.0-alpha.1_frontier_crayclang_mpich.sh
+source load_dev_polaris_0.6.0-alpha.1_frontier_craycray_mpich.sh
 ```
 
 To build MPAS components, use:

docs/developers_guide/machines/index.md

@@ -69,9 +69,9 @@ These are the machines supported by MPAS-Ocean and -Seaice, including the
 +--------------+------------+-----------+-------------------+
 | compy        | intel      | impi      | intel-mpi         |
 +--------------+------------+-----------+-------------------+
-| frontier     | gnu        | mpich     | gnu-cray          |
+| frontier     | craygun    | mpich     | gnu-cray          |
 |              +------------+-----------+-------------------+
-|              | crayclang  | mpich     | cray-cray         |
+|              | craycray   | mpich     | cray-cray         |
 +--------------+------------+-----------+-------------------+
 | pm-cpu       | gnu        | mpich     | gnu-cray          |
 |              +------------+-----------+-------------------+
@@ -87,37 +87,35 @@ These are the machines supported by Omega.  The MPI library is always the
 E3SM default for the given machine an compiler.
 
 ```{eval-rst}
-+--------------+--------------+-----------+
-| Machine      | Compiler     | MPI lib.  |
-+==============+==============+===========+
-| chicoma-cpu  | gnu          | mpich     |
-+--------------+--------------+-----------+
-| chrysalis    | intel        | openmpi   |
-|              +--------------+-----------+
-|              | gnu          | openmpi   |
-+--------------+--------------+-----------+
-| frontier     | gnu          | mpich     |
-|              +--------------+-----------+
-|              | gnugpu       | mpich     |
-|              +--------------+-----------+
-|              | amdclang     | mpich     |
-|              +--------------+-----------+
-|              | amdclanggpu  | mpich     |
-|              +--------------+-----------+
-|              | crayclang    | mpich     |
-|              +--------------+-----------+
-|              | crayclanggpu | mpich     |
-+--------------+--------------+-----------+
-| pm-cpu       | gnu          | mpich     |
-|              +--------------+-----------+
-|              | intel        | mpich     |
-|              +--------------+-----------+
-|              | nvidia       | mpich     |
-+--------------+--------------+-----------+
-| pm-gpu       | gnugpu       | mpich     |
-|              +--------------+-----------+
-|              | nvidiagpu    | mpich     |
-+--------------+--------------+-----------+
++--------------+------------------+-----------+
+| Machine      | Compiler         | MPI lib.  |
++==============+==================+===========+
+| chicoma-cpu  | gnu              | mpich     |
++--------------+------------------+-----------+
+| chrysalis    | intel            | openmpi   |
+|              +------------------+-----------+
+|              | gnu              | openmpi   |
++--------------+------------------+-----------+
+| frontier     | craygnu          | mpich     |
+|              +------------------+-----------+
+|              | craygnu-hipcc    | mpich     |
+|              +------------------+-----------+
+|              | craygnu-mphipcc  | mpich     |
+|              +------------------+-----------+
+|              | crayamd          | mpich     |
+|              +------------------+-----------+
+|              | crayamd-mphipcc  | mpich     |
+|              +------------------+-----------+
+|              | craycray         | mpich     |
+|              +------------------+-----------+
+|              | craycray-mphipcc | mpich     |
++--------------+------------------+-----------+
+| pm-cpu       | gnu              | mpich     |
+|              +------------------+-----------+
+|              | intel            | mpich     |
++--------------+------------------+-----------+
+| pm-gpu       | gnugpu           | mpich     |
++--------------+------------------+-----------+
 ```
 
 :::{note}

e3sm_submodules/E3SM-Project

@@ -13,28 +13,31 @@ polaris_envs = /ccs/proj/cli115/software/polaris/frontier/conda/base
 [deploy]
 
 # the compiler set to use for system libraries and MPAS builds
-compiler = gnu
+compiler = craygnu
 
 # the compiler to use to build software (e.g. ESMF and MOAB) with spack
-software_compiler = gnu
+software_compiler = craygnu
 
-# the system MPI library to use for gnu compiler
-mpi_gnu = mpich
+# the system MPI library to use for craygnu compiler
+mpi_craygnu = mpich
 
-# the system MPI library to use for gnugpu compiler
-mpi_gnugpu = mpich
+# the system MPI library to use for craygnu-hipcc compiler
+mpi_craygnu_hipcc = mpich
 
-# the system MPI library to use for crayclang compiler
-mpi_crayclang = mpich
+# the system MPI library to use for craygnu-mphipcc compiler
+mpi_craygnu_mphipcc = mpich
 
-# the system MPI library to use for crayclanggpu compiler
-mpi_crayclanggpu = mpich
+# the system MPI library to use for craycray compiler
+mpi_craycray = mpich
 
-# the system MPI library to use for amdclang compiler
-mpi_amdclang = mpich
+# the system MPI library to use for craycray-mphipcc compiler
+mpi_craycray_mphipcc = mpich
 
-# the system MPI library to use for amdclanggpu compiler
-mpi_amdclanggpu = mpich
+# the system MPI library to use for crayamd compiler
+mpi_crayamd = mpich
+
+# the system MPI library to use for crayamd-mphipcc compiler
+mpi_crayamd_mphipcc = mpich
 
 # the base path for spack environments used by polaris
 spack = /ccs/proj/cli115/software/polaris/frontier/spack