VASP6.3 装好后，尝试跑机器学习力场，有如下报错，请教是什么错误？
running on 40 total cores
distrk: each k-point on 40 cores, 1 groups
distr: one band on 1 cores, 40 groups
vasp.6.3.0 20Jan22 (build May 18 2022 11:51:00) gamma-only
POSCAR found type information on POSCAR Si
POSCAR found : 1 types and 512 ions
scaLAPACK will be used
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| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| For optimal performance we recommend to set |
| NCORE = 2 up to number-of-cores-per-socket |
| NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE). |
| This setting can greatly improve the performance of VASP for DFT. |
| The default, NCORE=1 might be grossly inefficient on modern |
| multi-core architectures or massively parallel machines. Do your |
| own testing! More info at https://www.vasp.at/wiki/index.php/NCORE |
| Unfortunately you need to use the default for GW and RPA |
| calculations (for HF NCORE is supported but not extensively tested |
| yet). |
| |
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LDA part: xc-table for Pade appr. of Perdew
Machine learning selected
Setting communicators for machine learning
Initializing machine learning
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= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 135421 RUNNING AT minint-baim9u0
= KILLED BY SIGNAL: 9 (Killed)
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