Describe the bug
The pressure is correct when kpar parallelization (scan-no-kpar) is not enabled.
$ grep PRESSURE scan-*/OUT*/run*
scan-kpar/OUT.Sn-alpha-2-2/running_scf.log: TOTAL-PRESSURE: +784.204126 KBAR
scan-no-kpar/OUT.Sn-alpha-2-2/running_scf.log: TOTAL-PRESSURE: +8.949799 KBAR
Expected behavior
No response
To Reproduce
20230711-bug.zip
Environment
Intel MKL with ABACUS v3.2.5
Additional Context
No response
Describe the bug
The pressure is correct when kpar parallelization (scan-no-kpar) is not enabled.
Expected behavior
No response
To Reproduce
20230711-bug.zip
Environment
Intel MKL with ABACUS v3.2.5
Additional Context
No response