Allocate aligned memory

Description

For runs on the CPU, the memory for the batches of the wavefunctions in the states is now allocated in an aligned way. The alignment is chosen according to the vectorization recognized at configure time. This improves vectorized instructions, especially for the finite difference kernels where vector instuction intrinsics are used.

This MR depends on MR !669 (merged).

News snippet

Improve vectorization by allocating aligned memory.

Checklist

• I have checked that my code follows the Octopus coding standards

changed milestone to %10.0

added Core Optimization labels

changed the description

I am not a big fan of the name special. This is not really descriptive and does not help new comers to understand the code. Maybe "aligned" would be better, no?

Codecov Report

Merging #673 into develop will decrease coverage by <.01%. The diff coverage is 57.89%.

@@             Coverage Diff             @@
##           develop     #673      +/-   ##
===========================================
- Coverage    70.84%   70.83%   -0.01%     
===========================================
  Files          473      473              
  Lines        89592    89595       +3     
===========================================
+ Hits         63467    63469       +2     
- Misses       26125    26126       +1

Impacted Files	Coverage Δ
src/grid/batch_inc.F90	100% <100%> (ø)	⬆
src/grid/batch.F90	86.48% <50%> (ø)	⬆
src/grid/allocate_hardware_aware.c	66.66% <55.55%> (ø)

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mentioned in merge request !674 (merged)

added 2 commits

• 5f4cf9cd - Fix missing brace in debug code
• 4117f10b - Align allocations for wavefunctions for vectorization

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closed

reopened

added 1 commit

• a015a5fa - Rename allocation functions: special -> hardware_aware

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approved this merge request

mentioned in commit 293181ea

merged

resolved all threads

changed the description

added in Changelog label