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Guard MMM1D code against segfaults #4064

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merged 7 commits into from
Dec 22, 2020
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@jngrad jngrad commented Dec 21, 2020

Fixes #4056

Description of changes:

  • catch segfaults due to wrong periodicity or cellsystem
  • fix MMM1D test case (broken since 4.1.0)
  • fix bug in the MMM1D energy function on GPU (introduced in 4.2-dev)

@jngrad jngrad marked this pull request as draft December 21, 2020 16:36
Fix regression introduced in 235480b
Fix regression introduced in 0f63a4a
Cellsystems other than N-square cause a segfault.
Use standard throw statements in MMM1DGPU. Use handle_errors in the
CPU implementation to exit early in case of errors.
@jngrad jngrad marked this pull request as ready for review December 21, 2020 18:14
@jngrad jngrad added this to the Espresso 4.2 milestone Dec 21, 2020
@jngrad jngrad requested a review from reinaual December 21, 2020 18:15
@jngrad jngrad added the automerge Merge with kodiak label Dec 22, 2020
@kodiakhq kodiakhq bot merged commit 65e8346 into espressomd:python Dec 22, 2020
@jngrad jngrad deleted the fix-4056 branch December 23, 2020 10:27
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MMM1DGPU: Segmentation fault without correct periodicity
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