Error on user-Molfile and library

Hi Dear all

I want to add User-molfile package to lammps-icms…

There is an installation guide in this issue in the lammps manual as the follow:

"There are also a few packages, like KIM and USER-MOLFILE, that use additional auxiliary libraries which are not provided with LAMMPS. In these cases, there is no corresponding sub-directory under the lib directory. You are expected to download and install these libraries yourself before building LAMMPS with the package installed,if they are not already on your system.****"

How should I find and install “lib/molfile” library and also ”molfile package”?

I tried the installing user-packages guide page but when I use “dump molfile” command in my input file it shows such an Error:

scriptError on proc 0: No suitable molfile plugin found (dump_molfile.cpp:105)

Thanks anyone for guidance

Hi Dear all

I want to add User-molfile package to lammps-icms....

There is an installation guide in this issue in the lammps manual as the
follow:

"There are also a few packages, like KIM and USER-MOLFILE, that use
additional auxiliary libraries which are not provided with LAMMPS. In these
cases, there is no corresponding sub-directory under the lib directory. You
are expected to download and install these libraries yourself before
building LAMMPS with the package installed,if they are not already on your
system."

How should I find and install “lib/molfile” library and also ”molfile
package”?

there is no lib/molfile. if you read the documentation about
what molfile does, it should be obvious to you. the user molfile
package interfaces VMD to the molfile plugins from VMD.
those plugins are not compiled into the LAMMPS executable,
but loaded dynamically at runtime.

I tried the installing user-packages guide page but when I use “dump
molfile” command in my input file it shows such an Error:

scriptError on proc 0: No suitable molfile plugin found
(dump_molfile.cpp:105)

this tells you two things. a) you *did* install the molfile package
correctly and it works and b) you didn't read the documentation
of the dump molfile command and didn't either copy the plugins
you want to use into the working directory or didn't set a suitable
path so that the molfile wrapper can find the plugins in the
VMD installation.

axel.