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Code not compiled as parallel #4

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chrisjsewell opened this issue Dec 16, 2020 · 3 comments
Open

Code not compiled as parallel #4

chrisjsewell opened this issue Dec 16, 2020 · 3 comments

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@chrisjsewell
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chrisjsewell commented Dec 16, 2020

@yakutovicha noted that running a calculation on QM with -np 2 launches two separate calculations

@chrisjsewell
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May be that the default is to use tasks/download_binary.yml, when it should probably use tasks/install_via_make.yml

@ltalirz
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ltalirz commented Dec 17, 2020

there may soon be an openmp-enabled binary from conda-forge; perhaps at some point also an mpi-enabled one.

but so far, they don't ship those

@giovannipizzi
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@yakutovicha suggests to create a new localhost-serial code and have CP2K on it, at least as a workaround (of course great if we can have a parallel version, instead)

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