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LUMI port: Compile with Cray compiler suite #10

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jamesavery opened this issue Oct 22, 2023 · 1 comment
Open

LUMI port: Compile with Cray compiler suite #10

jamesavery opened this issue Oct 22, 2023 · 1 comment

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@jamesavery
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Currently, the CMake setup is very GCC/GFortran-centric, with some GNU options hardcoded. This breaks compiles on LUMI, which uses the Cray Compiler Environment (CCE).

Need to clean up the CMakeList.txt to not assume GNU compilers (also useful for compiling on clang-based mac systems).
jamesavery added a commit that referenced this issue Nov 10, 2023
@jamesavery
Work on Issue #10: Use results in template instantiation to make Cray…
1c43c3d 
… compilers happy.
jamesavery added a commit that referenced this issue Nov 10, 2023
@jamesavery
Issue #10: Cray CC isn't happy with recursive template definitions --…
21d5a3b 
… needed forward declaration.
jamesavery added a commit that referenced this issue Nov 10, 2023
@jamesavery
Issue #10: Cray CC doesn't like list initializers with one element. R…
20bb7a4 
…ewrote to slightly less nice (1,element) vector constructor
jamesavery added a commit that referenced this issue Nov 10, 2023
@jamesavery
Issue #10: Cray Fortran doesn't like how Peter wrote Fortran prints. …
6863495 
…Disabling for now, since they are only used in Fortran program. But figure out later how to fix.
jamesavery added a commit that referenced this issue Nov 10, 2023
@jamesavery
Issue #10: register keyword hasn't done anything for decades (compile…
6379b38 
…rs just ignore it). But it breaks Cray compilation on LUMI, as C++17 disallows it. Buckygen is soooo messily written!
jamesavery added a commit that referenced this issue Nov 10, 2023
@jamesavery
Issue #10: IsomerBatch constructors & destructors template instantiat…
245dc34 
…ions were causing trouble with Cray CC. Moved to header to avoid the need.
jamesavery added a commit that referenced this issue Nov 10, 2023
@jamesavery
Issue #10: CMake was assuming GNU fortran, broke Cray Fortran. Now de…
c4e37f9 
…tects Cray compiler environment.
jamesavery added a commit that referenced this issue Nov 10, 2023
@jamesavery
Issue #10: Cray Fortran can't link with the same args as it compiles.…
70d5626 
… Now sets CMAKE_Fortran_LINK_EXECUTABLE, so linking works. Everything CPU-only now compiles on LUMI!
@jamesavery
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Now everything builds and runs. Last TODO before closing issue: sanity checks on results.

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@jamesavery