Dear support,
I have just downloaded the currently available lammps build at the sandia website. I need to use the new (at least, to me) kspace_style ewald/n feature.
The .tar file expands into the lammps-26Apr10 folder. The program compiles well, but unfortunately when running it cannot find the required style for that command. Did I miss something?
Thank you very much in advance.
Francesco Frigerio
Dear support,
I have just downloaded the currently available lammps build at the sandia
website. I need to use the new (at least, to me) kspace_style ewald/n
feature.
The .tar file expands into the lammps-26Apr10 folder. The program compiles
well, but unfortunately when running it cannot find the required style for
that command. Did I miss something?
yes. you have to "install" optional features before compiling a lammps
binary. please check out the documentation more details.
cheers,
axel.
make yes-user-ewaldn
make linux
Steve
Hi, Steve,
I wonder if this is a new requirement for building the latest version of lammps?
I remember I didn’t use the “make yes-user-ewaldn” command for the old version, and I was able to use “kspace_style pppm 1.0e-5” without any complain.
Thanks a lot.
Jihang
This is a feature for using an ewald summation for other interactions - like LJ.
Matt
Quoting Jihang Wang <[email protected]...>:
PPPM is standard. ewald/n is not - it's in a user package.
Steve