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Fix the issue of inconsistent behavior between estep and md_nstep. (#… #595

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Fix the issue of inconsistent behavior between estep and md_nstep. (#…

Fix the issue of inconsistent behavior between estep and md_nstep. (#… #595

Run time

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Job Run time
Build with Intel toolchain
7m 46s
Build without ELPA
8m 37s
Build with GNU toolchain
8m 59s
Build without MPI
6m 50s
Build with CUDA support
14m 24s
Build without LCAO and MPI
4m 0s
Build extra components with GNU toolchain
23m 3s
Build extra components with Intel toolchain
17m 41s
Build without LCAO
5m 18s
1h 36m 38s