Hi,
I ran a Uniaxial Tension tutorial [1] successfully. The tutorial uses 4000 atoms. How can I increase the number of atoms? Any guide?
Regards,
Mahmood
Hi,
I ran a Uniaxial Tension tutorial [1] successfully. The tutorial uses 4000 atoms. How can I increase the number of atoms? Any guide?
impossible to say based on this limited amount of information.
but you can look up the commands in the tutorial inputs (BTW: what is
[1]???) in the LAMMPS manual and read what is written about them. the
answer should become obvious to you.
axel.
Hi Axel,
impossible to say based on this limited amount of information.
but you can look up the commands in the tutorial inputs (BTW: what is
[1]???) in the LAMMPS manual and read what is written about them. the
answer should become obvious to you.
Sorry I didn’t paste the link. I mean https://icme.hpc.msstate.edu/mediawiki/index.php/Uniaxial_Tension
Should I perform a preprocess in order to prepare a larger input file for lammps? I want to create a large file which allocates the memory in the order of gigabyte. With 4000 atoms in the tutorial, each core allocates about 20MB! which is not suitable for my tests. I am doing some computer tests.
Regards,
Mahmood
Hi Axel,
impossible to say based on this limited amount of information.
but you can look up the commands in the tutorial inputs (BTW: what is
[1]???) in the LAMMPS manual and read what is written about them. the
answer should become obvious to you.Sorry I didn't paste the link. I mean
https://icme.hpc.msstate.edu/mediawiki/index.php/Uniaxial_TensionShould I perform a preprocess in order to prepare a larger input file for
lammps? I want to create a large file which allocates the memory in the
order of gigabyte. With 4000 atoms in the tutorial, each core allocates
about 20MB! which is not suitable for my tests. I am doing some computer
tests.
why don't you just do what i suggested?
why don't you just do what i suggested?
OK. From the manual, command description and some pages on the web, I found the following things:
1- Increasing the number of atoms by modifying "region" command
region whole block 0 10 0 10 0 10
So, instead of 10, I wrote another number. After that, by running lammps, I see that it report X atoms and then I can play with the numbers. Though I haven't figure out the relation between the numbers in the region and the total number of atoms.
2- Increasing the box size with "lattice" command. I can create a bigger box by changing the numbers.
Overall, by modifying those number, I can see the computation and memory effects. Am I in the right direction?
Regards,
Mahmood