Dear community,

i am trying to perform GO with the mGGA rSCAN functional, but unfortunately the calculations fail, and the reruns / continuations fail the same way. I attached an example (cell, param & castep file). Any help is appreciated!
System info: CentOS 7.9, 80 cores Intel Xeon Gold 2nd Gen, 768 Gb RAM
The output looks like:

Last known process information:
===============================
Name: castepexe.exe
State: Z (zombie)
Tgid: 200239
Ngid: 0
Pid: 200239
PPid: 200235
TracerPid: 0
Uid: 1001 1001 1001 1001
Gid: 1001 1001 1001 1001
FDSize: 0
Groups: 10 1001
Threads: 1
SigQ: 84/3089708
SigPnd: 0000000000000000
ShdPnd: 0000000000000102
SigBlk: 0000000000000000
SigIgn: 0000000000100000
SigCgt: 00000001800046ae
CapInh: 0000000000000000
CapPrm: 0000000000000000
CapEff: 0000000000000000
CapBnd: 0000001fffffffff
CapAmb: 0000000000000000
NoNewPrivs: 0
Seccomp: 0
Speculation_Store_Bypass: thread vulnerable
Cpus_allowed: 0000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000001
Cpus_allowed_list: 0
Mems_allowed: 00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,0000000f
Mems_allowed_list: 0-3
voluntary_ctxt_switches: 128687
nonvoluntary_ctxt_switches: 268751