NOAA-EMC / hpc-stack

Create a software stack for HPC's
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Add Scotch library with intel and gnu compiler on Hera and Orion #501

Open aliabdolali opened 2 years ago

aliabdolali commented 2 years ago

Please describe the package or library you would like to add to hpc-stack. The Scotch distribution is a set of programs and libraries which implement the static mapping and sparse matrix reordering algorithms developed within the Scotch project. We would like to utilize the graph partitioning capability of Scotch in the WW3 model. Here is the link to the Scotch repository: https://gitlab.inria.fr/scotch/scotch

What applications at NOAA will be using this package or library? UFS-WEATHER-MODEL:

Is there already a package or library in hpc-stack that provides this, or related, functionality? NA

Additional context I have tested the compilation of SCOTCH with GNU and Intel compiler on both Hera and Orion. The compilation with intel is a bit tricky, so here I added the step-by-step instruction: Hera

cd scotch
 module purge
  module load cmake/3.20.1
  module use /scratch2/NCEPDEV/nwprod/hpc-stack/libs/hpc-stack/modulefiles/stack
  module load hpc/1.2.0
  module load hpc-intel/2022.1.2
  module load hpc-impi/2022.1.2
  module load netcdf/4.9.0
  module load gnu

 mkdir build
 cd build

cmake VERBOSE=1 -DCMAKE_Fortran_COMPILER=ifort -DCMAKE_C_COMPILER=icc -DCMAKE_INSTALL_PREFIX=<path to scotch>/install  -DTHREADS=OFF -DCMAKE_BUILD_TYPE=Release .. | & tee cmake.out-rr

make VERBOSE=1 | & tee make.out-rr
make install
make scotch
make ptscotch

I compiled scotch following this instruction on Hera in /scratch2/COASTAL/coastal/save/Ali.Abdolali/hpc-stack/scotch/install

Orion


cd scotch
 module purge

mkdir -p $HOME/modulefiles/gcc
cp /apps/modulefiles/core/gcc/10.2.0 $HOME/modulefiles/gcc/

Edit the file $HOME/modulefiles/gcc/10.2.0:
Comment out the 'family "compiler"' line
Comment out the 'prepend-path MODULEPATH' line

  module use $HOME/modulefiles
  module load gcc/10.2.0
  module load cmake/3.22.1
  module use /apps/contrib/NCEP/libs/hpc-stack/modulefiles/stack
  module load hpc/1.1.0
  module load hpc-intel/2018.4
  module load hpc-impi/2018.4
  module load netcdf/4.7.4
  module load jasper/2.0.25
  module load zlib/1.2.11
  module load png/1.6.35
  module load hdf5/1.10.6
  module load bacio/2.4.1
  module load g2/3.4.2
  module load w3emc/2.9.2
  module load esmf/8_2_0
 mkdir build
 cd build

cmake VERBOSE=1 -DCMAKE_Fortran_COMPILER=ifort -DCMAKE_C_COMPILER=icc -DCMAKE_INSTALL_PREFIX=<path to scotch>/install -DTHREADS=OFF -DCMAKE_BUILD_TYPE=Release .. | & tee cmake.out-rr

make VERBOSE=1 | & tee make.out-rr
make install
make scotch
make ptscotch

I compiled scotch following this instruction on Orion in /work/noaa/marine/ali.abdolali/Source/hpc-stack/scotch/install

The Intel compiler depends on GNU for some of its functionality, and needs a more recent version of GNU compiler to function correctly. The default version of GNU that comes with most distribution is pretty old. So if WCOSS2 has a more recent version as the default then it should simply work. Based on the GNU module loaded on hera, it seems to work fine with: gcc (Spack GCC) 9.2.0 If WCOSS2 had an older version of GNU then you see if there is a module for GNU with a more recent compiler.

Will This Package be Needed in an Operational Application? Yes

WCOSS System Software Request Checklist

General questions:

Supervisor or sponsor of the requester: @AvichalMehra-NOAA The license of the package is approved by NCO.

Software name and version, specific URL to the software SCOTCH https://gitlab.inria.fr/scotch/scotch

Software type - New or Upgrade existing? New

Justification ( List NPS models using the software)

Completion Time requested

Software License including all Dependency Software Licenses 

Support contact(s) who must have a WCOSS account

Dependency Software list

Installation instructions

Test and verification instructions

Technical Review Checklist for open source software - Review the source code to answer the following questions

Licenses for the requested software and its dependencies

Licenses -  confirm the software Licenses are acceptable

Maturity

Acceptable - Stable, production, or equivalent

Self-contained

No external http, https,  ftp, or other URI exists except that in comments

No binary files in the package unless they are in the approved list

No publicly disclosed cybersecurity vulnerabilities and exposures 

Searching https://cve.mitre.org/cve/

Security High Level Checklists 

Is it prohibited by DHS/DOC/NOAA/NWS

Is it provided by a trusted source? Trusted sources include other NWS, NOAA, or DOC, agencies, or other Federal agencies that operate at a FISMA high or equivalent level. Additionally, trusted sources could be third-party agencies through which there is an existing SLA on file (such as RedHat). 

Is software support offered (is it being updated and patched). Yes, the main developers agreed to support the software.

If maintained by a private entity, does the entity operate in a foreign country, especially a prohibited foreign country (China, Russia, Iran, North Korea, etc.). 

Is there sufficient documentation to support maintenance Yes

Are there known vulnerabilities or weaknesses No

Is there a need for privileged processes 

Are there software dependencies, are those dependencies approved or do they have any security concerns 

Are there any other concerns related to SA, SI, and SC control families