Key word Freq cannot work

[gkxiao]

In my exercise, if key word freq was used, it cannot work

# external='./ani_calc-2x.sh'  opt freq

If I remove the freq, it worked:

# external='./ani_calc-2x.sh'  opt

Here is the error message:

Error: segmentation violation
   rax 0000000000000000, rbx ffffffffffffffff, rcx 000014b71aabf75b
   rdx 0000000000000000, rsp 00007ffe756d9dc8, rbp 00007ffe756da340
   rsi 000000000000000b, rdi 0000000000091377, r8  000014b6e8a6d000
   r9  0000000000000401, r10 000014b71aa8ff60, r11 0000000000000202
   r12 00007ffe756da388, r13 0000000000000000, r14 0000000000000000
   r15 00000000000003e6
  /lib/x86_64-linux-gnu/libc.so.6(+0x42520) [0x14b71aabf520]
  /lib/x86_64-linux-gnu/libc.so.6(kill+0xb) [0x14b71aabf75b]
  /public/gkxiao/software/g16/l401.exe() [0x4739b9]
  /public/gkxiao/software/g16/l401.exe() [0x49820a]
  /public/gkxiao/software/g16/l401.exe() [0x50b9ac]
  /public/gkxiao/software/g16/l401.exe() [0x4e95ef]
  /public/gkxiao/software/g16/l401.exe() [0x451686]
  /public/gkxiao/software/g16/l401.exe() [0x4511d2]
  /public/gkxiao/software/g16/l401.exe() [0x4510d4]
  /lib/x86_64-linux-gnu/libc.so.6(+0x29d90) [0x14b71aaa6d90]
  /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x80) [0x14b71aaa6e40]
  /public/gkxiao/software/g16/l401.exe() [0x450fc9]
Aborted (core dumped)

(rdkit2020) gkxiao@master:/public/gkxiao/work/demo/torchani/opt$ tail test-ani.log
 Raffenetti 1 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    12 RedAO= T EigKep=  2.35D-01  NBF=    12
 NBsUse=    12 1.00D-06 EigRej= -1.00D+00 NBFU=    12
 No guess information found on chk file.
 Error termination via Lnk1e in /public/gkxiao/software/g16/l401.exe at Wed Sep  7 15:24:44 2022.
 Job cpu time:       0 days  0 hours  0 minutes  0.5 seconds.
 Elapsed time:       0 days  0 hours  0 minutes  0.5 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1

Would you mind helping me to check what happen?

[smutao]

Can you try "freq" only? "opt+freq" will not work.