fix URLs to documentation files
This commit is contained in:
Axel Kohlmeyer
@ -11,11 +11,11 @@ library.
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See these sections of the LAMMPS manual for details:
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Build LAMMPS as a library (doc/Build_basics.html)
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Link LAMMPS as a library to another code (doc/Build_link.html)
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Coupling LAMMPS to other codes (doc/Howto_couple.html)
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Using LAMMPS in client/server mode (doc/Howto_client_server.html)
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Library interface to LAMMPS (doc/Howto_library.html)
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Build LAMMPS as a library (doc/html/Build_basics.html)
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Link LAMMPS as a library to another code (doc/html/Build_link.html)
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Coupling LAMMPS to other codes (doc/html/Howto_couple.html)
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Using LAMMPS in client/server mode (doc/html/Howto_client_server.html)
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Library interface to LAMMPS (doc/html/Howto_library.html)
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The library interface to LAMMPS is in src/library.cpp. Routines can
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be easily added to this file so an external program can perform the
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@ -1,8 +1,8 @@
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Sample Monte Carlo (MC) wrapper on LAMMPS via client/server coupling
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See the MESSAGE package (doc/Section_messages.html#MESSAGE)
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and Section_howto.html#howto10 for more details on how
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client/server coupling works in LAMMPS.
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See the MESSAGE package documentation Build_extras.html#message
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and Build_extras.html#message for more details on how client/server
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coupling works in LAMMPS.
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In this dir, the mc.cpp/h files are a standalone "client" MC code. It
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should be run on a single processor, though it could become a parallel
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@ -94,18 +94,18 @@ background.
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File mode of messaging:
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% mpirun -np 1 mc in.mc file tmp.couple
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% mpirun -np 1 lmp_mpi -v mode file < in.mc.server
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% mpirun -np 1 lmp_mpi -v mode file -in in.mc.server
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% mpirun -np 1 mc in.mc file tmp.couple
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% mpirun -np 4 lmp_mpi -v mode file < in.mc.server
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% mpirun -np 4 lmp_mpi -v mode file -in in.mc.server
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ZMQ mode of messaging:
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% mpirun -np 1 mc in.mc zmq localhost:5555
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% mpirun -np 1 lmp_mpi -v mode zmq < in.mc.server
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% mpirun -np 1 lmp_mpi -v mode zmq -in in.mc.server
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% mpirun -np 1 mc in.mc zmq localhost:5555
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% mpirun -np 4 lmp_mpi -v mode zmq < in.mc.server
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% mpirun -np 4 lmp_mpi -v mode zmq -in in.mc.server
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--------------
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@ -1,7 +1,7 @@
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Sample LAMMPS MD wrapper on NWChem via client/server coupling
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See the MESSAGE package (doc/Section_messages.html#MESSAGE) and
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Section_howto.html#howto10 for more details on how client/server
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See the MESSAGE package documentation Build_extras.html#message
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and Build_extras.html#message for more details on how client/server
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coupling works in LAMMPS.
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In this dir, the nwchem_wrap.py is a wrapper on the NWChem electronic
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@ -182,16 +182,16 @@ background.
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File mode of messaging:
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% mpirun -np 1 lmp_mpi -v mode file < in.client.W
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% mpirun -np 1 lmp_mpi -v mode file -in in.client.W
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% python nwchem_wrap.py file pw w.nw
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% mpirun -np 2 lmp_mpi -v mode file < in.client.h2o
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% mpirun -np 2 lmp_mpi -v mode file -in in.client.h2o
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% python nwchem_wrap.py file ao h2o.nw
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ZMQ mode of messaging:
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% mpirun -np 1 lmp_mpi -v mode zmq < in.client.W
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% mpirun -np 1 lmp_mpi -v mode zmq -in in.client.W
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% python nwchem_wrap.py zmq pw w.nw
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% mpirun -np 2 lmp_mpi -v mode zmq < in.client.h2o
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% mpirun -np 2 lmp_mpi -v mode zmq -in in.client.h2o
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% python nwchem_wrap.py zmq ao h2o.nw
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@ -1,8 +1,8 @@
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Sample LAMMPS MD wrapper on VASP quantum DFT via client/server
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coupling
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See the MESSAGE package (doc/Section_messages.html#MESSAGE) and
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Section_howto.html#howto10 for more details on how client/server
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See the MESSAGE package documentation Build_extras.html#message
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and Build_extras.html#message for more details on how client/server
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coupling works in LAMMPS.
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In this dir, the vasp_wrap.py is a wrapper on the VASP quantum DFT
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@ -134,16 +134,16 @@ background.
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File mode of messaging:
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% mpirun -np 1 lmp_mpi -v mode file < in.client.W
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% mpirun -np 1 lmp_mpi -v mode file -in in.client.W
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% python vasp_wrap.py file POSCAR_W
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% mpirun -np 2 lmp_mpi -v mode file < in.client.W
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% mpirun -np 2 lmp_mpi -v mode file -in in.client.W
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% python vasp_wrap.py file POSCAR_W
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ZMQ mode of messaging:
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% mpirun -np 1 lmp_mpi -v mode zmq < in.client.W
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% mpirun -np 1 lmp_mpi -v mode zmq -in in.client.W
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% python vasp_wrap.py zmq POSCAR_W
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% mpirun -np 2 lmp_mpi -v mode zmq < in.client.W
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% mpirun -np 2 lmp_mpi -v mode zmq -in in.client.W
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% python vasp_wrap.py zmq POSCAR_W
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@ -179,7 +179,7 @@ the same simulation in different unit systems.
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The USER directory contains subdirectories of user-provided example
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scripts for ser packages. See the README files in those directories
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for more info. See the doc/Section_start.html file for more info
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for more info. See the doc/html/Build_package.html file for more info
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about installing and building user packages.
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The VISCOSITY directory has example scripts for computing the
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@ -36,7 +36,7 @@ In a separate terminal, then, you should run LAMMPS compiled to provide
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fix_ipi functionalities.
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```bash
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$LAMMPS < in.graphene
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$LAMMPS -in in.graphene
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```
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You can run multiple instances of LAMMPS if you want to exploit the
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@ -11,9 +11,8 @@ LAMMPS as the server, e.g. a quantum code computing quantum forces, so
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that ab initio MD could be performed. See an example of the latter in
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examples/COUPLE/lammps_vasp.
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See the doc pages for the "MESSAGE package"
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(Package_details.html#PKG-MESSAGE) and "Howto client/server"
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(Howto_client_server.html) for more details on how client/server
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See the MESSAGE package documentation Build_extras.html#message
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and Build_extras.html#message for more details on how client/server
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coupling works in LAMMPS.
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--------------
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@ -38,8 +37,8 @@ as illustrated below.
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To run this problem in the traditional way (no client/server coupling)
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do one of these:
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% lmp_serial < in.message
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% mpirun -np 4 lmp_mpi < in.message
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% lmp_serial -in in.message
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% mpirun -np 4 lmp_mpi -in in.message
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Or run with in.message.tilt.
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@ -87,14 +86,14 @@ runs listed below.
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File or ZMQ or mpi/two modes of messaging:
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% mpirun -np 1 lmp_mpi -v mode file -log log.client < in.message.client &
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% mpirun -np 2 lmp_mpi -v mode file -log log.server < in.message.server
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% mpirun -np 1 lmp_mpi -v mode file -log log.client -in in.message.client &
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% mpirun -np 2 lmp_mpi -v mode file -log log.server -in in.message.server
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% mpirun -np 4 lmp_mpi -v mode zmq -log log.client < in.message.client &
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% mpirun -np 1 lmp_mpi -v mode zmq -log log.server < in.message.server
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% mpirun -np 4 lmp_mpi -v mode zmq -log log.client -in in.message.client &
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% mpirun -np 1 lmp_mpi -v mode zmq -log log.server -in in.message.server
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% mpirun -np 2 lmp_mpi -v mode mpitwo -log log.client < in.message.client &
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% mpirun -np 4 lmp_mpi -v mode mpitwo -log log.server < in.message.server
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% mpirun -np 2 lmp_mpi -v mode mpitwo -log log.client -in in.message.client &
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% mpirun -np 4 lmp_mpi -v mode mpitwo -log log.server -in in.message.server
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Or run with in.message.tilt.client/server.
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Don't run the tilt files with the "file" mode; they run too slow.
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