Dear all,
I have a question about atom style with lmp_openmpi.
After I installed MOLECULE package in src directory, I tried some examples.
And I found that it seems I get an error "Invalid atom style" when the
atom style is bond, angle, or full but it works when the atom style is
atomic.
I used lmp_serial, but now I changed to lmp_openmpi.
The atom style worked when I used lmp_serial.
Would you tell me whether there is other things I have to do with
openmpi to use MOLECULE package?
Thank you very much.
Best regards,
Nanako Takahashi
Dear all,
I have a question about atom style with lmp_openmpi.
After I installed MOLECULE package in src directory, I tried some examples.
And I found that it seems I get an error "Invalid atom style" when the
atom style is bond, angle, or full but it works when the atom style is
atomic.
I used lmp_serial, but now I changed to lmp_openmpi.
The atom style worked when I used lmp_serial.
this has nothing to do with each other. just do a "make clean-all"
and a "make package-update" and then recompile both and check whether
you really have all packages that are needed. most likely something
didn't get compiled properly or something got mixed up when you
were trying to compile lmp_openmpi.
cheers,
axel.