Error allocating array natoms_this_frag

Thank you for your reply.
It is GNU Fortran (Ubuntu 4.8.2-19ubuntu1) 4.8.2. Can you please share your compiled cassandra executable file. Then I will take a look at if that could run on my computer. Then I would know if it is the system's issue.

Thanks

Okay, thanks!

Hi Ryan,

Unfortunately, there is another error. Now I cannot even set up fragment directories. The wired thing is I did not change anything, and this time not only your executable file but also mine cannot work.

With Ubuntu,

Traceback (most recent call last):
File "../Scripts/Frag_Library_Setup/library_setup.py", line 576, in <module>
subprocess.call([cassandra_path,'species'+str(i+1)+'_mcf_gen.inp'])
File "/usr/lib/python2.7/subprocess.py", line 522, in call
return Popen(*popenargs, **kwargs).wait()
File "/usr/lib/python2.7/subprocess.py", line 710, in __init__
errread, errwrite)
File "/usr/lib/python2.7/subprocess.py", line 1327, in _execute_child
raise child_exception
OSError: [Errno 8] Exec format error

With Macbook,

At line 323 of file make_config.f90 (unit = 120)
Fortran runtime error: Cannot open file '': No such file or directory

Error termination. Backtrace:
#0 0x10b85c859
#1 0x10b85d525
#2 0x10b85dc89
#3 0x10b92283a
#4 0x10b922a80
#5 0x10aec3008
#6 0x10adf6f60
#7 0x10adfb003



Andy