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Resolve nvhpc 25 3 #1020
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     Merged
      
      
            sbryngelson
  merged 6 commits into
  MFlowCode:master
from
danieljvickers:resolve-nvhpc-25-3
  
      
      
   
  Oct 31, 2025 
      
    
      
        
          +74
        
        
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     Merged
                    Resolve nvhpc 25 3 #1020
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      dafe5d8
              
                This configuration works with multiple MPI ranks, but it quite slow
              
              
                 3c79d48
              
                make file to no longer require using -b
              
              
                 361018f
              
                One last module update
              
              
                 5af77ba
              
                We don't need to set as many cuda parameters
              
              
                 7e6c44c
              
                spelling
              
              
                wilfonba 3a258de
              
                Merge remote-tracking branch 'upstream/master' into resolve-nvhpc-25-3
              
              
                wilfonba File filter
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              | Original file line number | Diff line number | Diff line change | ||||||||||||||||||
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| @@ -0,0 +1,61 @@ | ||||||||||||||||||||
| #!/usr/bin/env bash | ||||||||||||||||||||
| 
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| <%namespace name="helpers" file="helpers.mako"/> | ||||||||||||||||||||
| 
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| % if engine == 'batch': | ||||||||||||||||||||
| #SBATCH --nodes=${nodes} | ||||||||||||||||||||
| #SBATCH --ntasks-per-node=${tasks_per_node} | ||||||||||||||||||||
| #SBATCH --job-name="${name}" | ||||||||||||||||||||
| #SBATCH --output="${name}.out" | ||||||||||||||||||||
| #SBATCH --time=${walltime} | ||||||||||||||||||||
| #SBATCH --cpus-per-task=7 | ||||||||||||||||||||
| % if gpu: | ||||||||||||||||||||
| #SBATCH --gpus-per-task=1 | ||||||||||||||||||||
| #SBATCH --gpu-bind=closest | ||||||||||||||||||||
| % endif | ||||||||||||||||||||
| % if account: | ||||||||||||||||||||
| #SBATCH --account=${account} | ||||||||||||||||||||
| % endif | ||||||||||||||||||||
| % if partition: | ||||||||||||||||||||
| #SBATCH --partition=${partition} | ||||||||||||||||||||
| % else: | ||||||||||||||||||||
| #SBATCH --partition=hpg-b200 | ||||||||||||||||||||
| % endif | ||||||||||||||||||||
| % if quality_of_service: | ||||||||||||||||||||
| #SBATCH --qos=${quality_of_service} | ||||||||||||||||||||
| % endif | ||||||||||||||||||||
| % if email: | ||||||||||||||||||||
| #SBATCH --mail-user=${email} | ||||||||||||||||||||
| #SBATCH --mail-type="BEGIN, END, FAIL" | ||||||||||||||||||||
| % endif | ||||||||||||||||||||
| % endif | ||||||||||||||||||||
| 
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| ${helpers.template_prologue()} | ||||||||||||||||||||
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| ok ":) Loading modules:\n" | ||||||||||||||||||||
| cd "${MFC_ROOT_DIR}" | ||||||||||||||||||||
| % if engine == 'batch': | ||||||||||||||||||||
| . ./mfc.sh load -c h -m ${'g' if gpu else 'c'} | ||||||||||||||||||||
| % endif | ||||||||||||||||||||
| cd - > /dev/null | ||||||||||||||||||||
| echo | ||||||||||||||||||||
| 
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| 
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||||||||||||||||||||
| % for target in targets: | ||||||||||||||||||||
| ${helpers.run_prologue(target)} | ||||||||||||||||||||
| 
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||||||||||||||||||||
| % if not mpi: | ||||||||||||||||||||
| (set -x; ${profiler} "${target.get_install_binpath(case)}") | ||||||||||||||||||||
| % else: | ||||||||||||||||||||
| (set -x; ${profiler} \ | ||||||||||||||||||||
| mpirun -np ${nodes*tasks_per_node} \ | ||||||||||||||||||||
| --bind-to none \ | ||||||||||||||||||||
| "${target.get_install_binpath(case)}") | ||||||||||||||||||||
| 
         
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  There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Suggestion: To improve performance on multi-GPU nodes, change the  
        Suggested change
       
    
  | 
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| % endif | ||||||||||||||||||||
| 
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| ${helpers.run_epilogue(target)} | ||||||||||||||||||||
| 
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| echo | ||||||||||||||||||||
| % endfor | ||||||||||||||||||||
| 
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| ${helpers.template_epilogue()} | ||||||||||||||||||||
      
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Suggestion: Change the NVHPC compiler version from
nvhpc/25.9tonvhpc/25.3to match the version used for the OpenMPI libraries, preventing potential ABI compatibility issues. [possible issue, importance: 9]