error on the parallel computing #1413
Description
Describe the bug
Dear developers,
The error (psi_norm <= 0.0) is occured when I followed the example P009_32H2O_pw(The INPUT file and STRU file are not changed). The 2018_intel_MPI + MKL is used to compile on the Centos system (HPC). The version of EPLA is 2021. The run command is: mpirun -np 12 abacus > log. The log file is presented below.
Thanks.
ITER ETOT(eV) EDIFF(eV) DRHO TIME(s)
m = 3
j = 0 lagrange norm = 4.62493e+21
j = 1 lagrange norm = 7.66347e+20
j = 2 lagrange norm = 5.43346e+16
j = 3 lagrange norm = 8.86966e+38
in DiagoCG, psi norm = -5.36155e+21
If you use GNU compiler, it may due to the zdotc is unavailable.
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NOTICE
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psi_norm <= 0.0
CHECK IN FILE : OUT.autotest/warning.log
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Expected behavior
No response
To Reproduce
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Environment
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Additional Context
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