replace cal_stress in GPU relax calculation，use NUM_STREAM in INPUT file and fix memory leak in force calculation
#4200
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A-006
changed the title
cal_stress in GPU relax calculation use NUM_STREAM in INPUT filecal_stress in GPU relax calculation and use NUM_STREAM in INPUT file
mohanchen
reviewed
May 23, 2024
mohanchen
added
the
Bugs (Exclude input and output)
A-006
changed the title
cal_stress in GPU relax calculation and use NUM_STREAM in INPUT filecal_stress in GPU relax calculation，use NUM_STREAM in INPUT file and fix memory leak in force calculation
mohanchen
reviewed
May 25, 2024
mohanchen
reviewed
May 27, 2024
mohanchen
approved these changes
May 27, 2024
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When the relaxation is performed, it is mandotory to use the
cal_stresssparameter in the current version of ABACUS. However, it may not be necessary to compute the stress. The calculation using the pipeline needs to be controlled via theNUM_STREAMparameter, so add this parameter.When calculating
force, a memory leak occurred. This issue was resolved, and an instance of previously unreleased memory was also identified and addressed.Linked Issue
Fix #4199