Dear Developers,
I need to specify a single shear stress component and let the system
equilibrate and relax, during which I will monitor diffusion behavior.
I am trying to specify only the xz stress component via fix npt:
fix 1 all npt temp 300 300 100 xz 10 10 1000
but this gives following memory error message:
Signal: Segmentation fault (11)
Signal code: Address not mapped (1)
If I specify at least one diagonal stress component, ie,
fix 1 all npt temp 300 300 100 y 10 10 1000 xz 10 10 1000
then the simulation will run.
From the document page:
The target pressures for each of the 6 components of the stress tensor
can be specified independently via the x, y, z, xy, xz, yz keywords…
If the xy keyword is used, the xy tilt factor will change. A box dimension
will not change if that component is not specified.
Is it possible to specify just one shear stress component and run simulation?
Thank you.
Yiyang
Dear Developers,
I need to specify a single shear stress component and let the system
equilibrate and relax, during which I will monitor diffusion behavior.
I am trying to specify only the xz stress component via fix npt:
fix 1 all npt temp 300 300 100 xz 10 10 1000
but this gives following memory error message:
Signal: Segmentation fault (11)
Signal code: Address not mapped (1)
If I specify at least one diagonal stress component, ie,
fix 1 all npt temp 300 300 100 y 10 10 1000 xz 10 10 1000
then the simulation will run.
From the document page:
The target pressures for each of the 6 components of the stress tensor
can be specified independently via the *x*, *y*, *z*, *xy*, *xz*, *yz*
keywords...
If the *xy* keyword is used, the xy tilt factor will change. A box
dimension
will not change if that component is not specified.
Is it possible to specify just one shear stress component and run
simulation?
is it possible to report a possible bug while also reporting which LAMMPS
version this applies to and whether this behavior can be reproduced with
the very latest development version?
axel.