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Optimized computing powers in CompiledExpression #3520

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merged 3 commits into from
Mar 18, 2022

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peastman
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This is another optimization to JIT compilation of custom expressions on the CPU. Simulating DHFR with CHARMM36 on the CPU platform, it increases the speed from 7.4 ns/day to 10 ns/day. There may also be some benefit for #3361.

@swails
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swails commented Mar 17, 2022

Is this real from the conda-forge compilers?

/home/runner/work/openmm/openmm/libraries/asmjit/asmjit/core/cpuinfo.cpp:18:12: fatal error: sys/auxv.h: No such file or directory
   18 |   #include <sys/auxv.h>
      |            ^~~~~~~~~~~~
compilation terminated.

@peastman
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I think it's real. I don't know why they're missing that file. It's part of glibc. I found this issue from four years ago reporting that it was missing on some BSDs, but it should always be present on Linux.

I think we need to raise the issue with the conda-forge maintainers. I'm not sure what the best place to report it is. On the feedstock for the compilers package?

@peastman
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The fix was to update the package containing glibc. That build is passing now.

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2 participants