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Task #2367

construct pbc_simd less often

Added by Mark Abraham 7 months ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
core library
Target version:
Difficulty:
uncategorized
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Description

We now use SIMD forms of the pbc data structures in multiple places per MD step. It would be slightly more efficient to construct that once per step (e.g. when we know the box has been updated), and would mean we don't have to make temporary SIMD data structures on the stack, for which there is no fully portable implementation in the C++11 standard (support for extended alignment e.g. for SIMD operations is at the discretion of the implementation, which we didn't realise when we used the standard alignas to implement GMX_ALIGNED(), and maybe GMX_ALIGNED() was broken before that, too).


Related issues

Related to GROMACS - Bug #2365: UtilityUnitTests is broken on ppc64le, aarch64, ppc64, s390x and armv7hlClosed

History

#1 Updated by Mark Abraham 7 months ago

  • Related to Bug #2365: UtilityUnitTests is broken on ppc64le, aarch64, ppc64, s390x and armv7hl added

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