error in restart MD simulations

[danieleveclani]

Dear xtb developers,

Dear XTB Developers,

I hope this message finds you well. My name is Daniele Veclani, and I am a user of your software. I am writing to report an issue I have encountered while attempting to restart a dynamic simulation.

When using the "restart = true" keyword, I encountered the following error message:

"At line 838 of file ../src/dynamic.f90
Fortran runtime error: Unit number is negative and unit was not already opened with OPEN(NEWUNIT=...)

Error termination. Backtrace:
#0 0x14860a68a24e in ???
#1 0x14860a68fa7a in ???
#2 0x55d9a06dc54d in ???
#3 0x55d9a06ca224 in ???
#4 0x148609e29d8f in __libc_start_call_main

at ../sysdeps/nptl/libc_start_call_main.h:58

#5 0x148609e29e3f in __libc_start_main_impl
at ../csu/libc-start.c:392
#6 0x55d9a06ca2c8 in ???"

I would like to bring to your attention that, until a few days ago, the simulations were restarting without any errors. I have attached the files from the same simulation, where in one case it crashes Restart_fail.zip , and in the other case (simulation from a couple of days ago), it was successful
Restart_good.zip

Your prompt attention to this matter would be greatly appreciated. If you require any additional information or files to investigate the issue further, please let me know.

Thank you for your assistance.

Best regards,
Daniele Veclani