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qcscine / sparrow

https://scine.ethz.ch
BSD 3-Clause "New" or "Revised" License
78 stars 15 forks source link

Memory-demanding compilation #7

Closed awvwgk closed 2 years ago

awvwgk commented 2 years ago

Just gave sparrow a try after a while and immediately crashed my machine when compiling it in parallel.

It would be nice to have a note on the memory demand when building sparrow. For me I found ~5GB peak memory usage and ~3.8GB on average for a single thread. Which can hamper even a powerful machine with 64GB memory when 16 concurrent jobs are spawned (a usual process count on a desktop machine).

Is there a particular reason for the expensive compilation process (heavy use of constexpr, templates, ...)?

weymutht commented 2 years ago

Thanks for giving Sparrow a try!

We have experienced only a few times a problem with RAM usage during compilation, especially when using the Intel compilers. Try whether reducing the numbers of concurrent jobs helps in your case.

awvwgk commented 2 years ago

Managed this by packaging binaries for conda-forge and downloading them afterwards ;).