Error when using MOLCAS_SAVE=REPL
Hello,
I encounter errors when I try to use MOLCAS_SAVE=REPL to launch a calculation. The error message is the following:
+ /ilene/grouaut/build_OpenMolcas/pymolcas auto /ilene/roseiro/pyMolcas/INIT/h4.casscf_SA_S.in
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Traceback (most recent call last):
File "/ilene/grouaut/build_OpenMolcas/pymolcas", line 595, in <module>
sys.exit(main(os.path.realpath(f)))
File "<string>", line 221, in main
File "<string>", line 774, in auto
File "<string>", line 198, in run
File "<string>", line 346, in run
File "<string>", line 838, in run_module
File "<string>", line 1332, in run
File "<string>", line 1209, in _copy_files
File "<string>", line 1232, in _copy_or_move
File "/usr/local/lib/python3.8/shutil.py", line 432, in copy2
copyfile(src, dst, follow_symlinks=follow_symlinks)
File "/usr/local/lib/python3.8/shutil.py", line 241, in copyfile
raise SameFileError("{!r} and {!r} are the same file".format(src, dst))
shutil.SameFileError: '/scrtmp/roseiro.15142/h4.LprOrb' and '/tmp/roseiro.15142/h4.LprOrb' are the same file
There is no problem using MOLCAS_SAVE = INCR or ORIG.
Can you please help me to understand this issue?
Tanks, Guillaume
Edited by Jellby