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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
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pt: fix compile error when use intel mpi #3919

Closed CaRoLZhangxy closed 2 days ago

CaRoLZhangxy commented 1 week ago

MPIX_Query_cuda_support() is not defined in intelMPI

Summary by CodeRabbit

coderabbitai[bot] commented 1 week ago

Walkthrough

In the latest update, checks for CUDA support within MPI were integrated into the build system and source code. Conditional logic was added to manage CUDA awareness based on whether MPIX_Query_cuda_support is available. If unavailable, NO_CUDA_AWARE is defined, altering configuration and functionality accordingly. This adjustment ensures compatibility and efficient handling of MPI versions with and without CUDA support.

Changes

File Summary
source/op/pt/CMakeLists.txt Added a check for MPIX_Query_cuda_support using CheckCXXSymbolExists and defined NO_CUDA_AWARE if absent. Updated linking and compilation definitions for deepmd_op_pt.
source/op/pt/comm.cc Added conditional logic related to CUDA support based on MPI version. Introduced preprocessor directives (NO_CUDA_AWARE, I_MPI_VERSION, MPIX_Query_cuda_support) and adjusted the Border class accordingly.

Sequence Diagram(s)

sequenceDiagram
    participant CMakeLists.txt
    participant Compilation
    participant comm.cc
    participant MPI
    participant Execution

    CMakeLists.txt->>+Compilation: Check for MPIX_Query_cuda_support
    Compilation-->>CMakeLists.txt: Define NO_CUDA_AWARE if absent
    comm.cc-->>comm.cc: Conditional compilation (NO_CUDA_AWARE)
    MPI-->>comm.cc: Provide MPI version and CUDA support
    Execution->>comm.cc: Instantiate Border class
    comm.cc-->>Execution: Adjust behavior based on CUDA awareness

[!TIP]

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codecov[bot] commented 1 week ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 82.87%. Comparing base (e809e64) to head (98c9937).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3919 +/- ## ========================================== - Coverage 82.88% 82.87% -0.01% ========================================== Files 520 520 Lines 50678 50678 Branches 3018 3011 -7 ========================================== - Hits 42003 42000 -3 - Misses 7738 7740 +2 - Partials 937 938 +1 ```

:umbrella: View full report in Codecov by Sentry.
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njzjz commented 1 week ago

I can find MPIX_Query_cuda_support in mpi.h, so I don't know what you mean.

grep MPIX_Query_cuda_support ~/intel/oneapi/mpi/2021.13/include/mpi.h
int MPIX_Query_cuda_support(void) MPICH_API_PUBLIC;
int PMPIX_Query_cuda_support(void) MPICH_API_PUBLIC;
CaRoLZhangxy commented 6 days ago 
grep MPIX_Query_cuda_support ~/intel/oneapi/mpi/2021.13/include/mpi.h

My intel MPI version is 2021.5.1 and there is no definition for MPIX_Query_cuda_support. What's more, it seems that there is no official api document for intel MPI.

njzjz commented 6 days ago

My intel MPI version is 2021.5.1 and there is no definition for MPIX_Query_cuda_support.

Perhaps use CMake's CheckSymbolExists. It seems very hard to check whether this function exists according to other flags.