WARNING!!!!!!!
Your GBWFile is either corrupt or from a different ORCA version!
Please be VERY careful with your calculation results!!!
Data_size, sizeof( TOrcaInfo ): 651728, 503600
Reading shell data into different element! ( 0 -> 1 )
Reading shell data into different element! ( 0 -> 2 )
Reading shell data into different element! ( 0 -> 3 )
Reading shell data into different element! ( 0 -> 4 )
Reading shell data into different element! ( 0 -> 5 )
Reading shell data into different element! ( 0 -> 6 )
Reading shell data into different element! ( 0 -> 7 )
Reading shell data into different element! ( 0 -> 8 )
Reading shell data into different element! ( 0 -> 9 )
Reading shell data into different element! ( 0 -> 10 )
Reading shell data into different element! ( 0 -> 11 )
Reading shell data into different element! ( 0 -> 12 )
Reading shell data into different element! ( 0 -> 13 )
Reading shell data into different element! ( 0 -> 14 )
Reading shell data into different element! ( 2 -> 15 )
Reading shell data into different element! ( 0 -> 16 )
Reading shell data into different element! ( 0 -> 17 )
Reading shell data into different element! ( 0 -> 18 )
Reading shell data into different element! ( 0 -> 19 )
Reading shell data into different element! ( 0 -> 20 )
Reading shell data into different element! ( 0 -> 21 )
Reading shell data into different element! ( 0 -> 22 )
Reading shell data into different element! ( 0 -> 23 )
Reading shell data into different element! ( 0 -> 24 )
Reading shell data into different element! ( 0 -> 25 )
Reading shell data into different element! ( 0 -> 26 )
Reading shell data into different element! ( 0 -> 27 )
Reading shell data into different element! ( 0 -> 28 )
Reading shell data into different element! ( 0 -> 29 )
Reading shell data into different element! ( 0 -> 30 )
Reading shell data into different element! ( 0 -> 31 )
Reading shell data into different element! ( 0 -> 32 )
Reading shell data into different element! ( 0 -> 33 )
Reading shell data into different element! ( 0 -> 34 )
Reading shell data into different element! ( 0 -> 35 )
Reading shell data into different element! ( 0 -> 36 )
Reading shell data into different element! ( 0 -> 37 )
Reading shell data into different element! ( 0 -> 38 )
Reading shell data into different element! ( 0 -> 39 )
Reading shell data into different element! ( 0 -> 40 )
Reading shell data into different element! ( 0 -> 41 )
Reading shell data into different element! ( 0 -> 42 )
Reading shell data into different element! ( 0 -> 43 )
Reading shell data into different element! ( 1978349233 -> 44 )
[file orca_tools/qcmem.cpp, line 974]: OUT OF MEMORY ERROR!
[file orca_tools/qcmem.cpp, line 974]: OUT OF MEMORY ERROR!
机子内存有128GB，空闲的时候运行也会出错。求助各位朋友，拜谢！
作者Author: 牧生 时间: 2022-4-22 13:02
WARNING!!!!!!!
Your GBWFile is either corrupt or from a different ORCA version!
Please be VERY careful with your calculation results!!!