From 0384ef89670de96f83b0f7821c4e22484d491ed9 Mon Sep 17 00:00:00 2001 From: Steve Plimpton <sjplimp@sandia.gov> Date: Fri, 7 Sep 2018 14:00:39 -0600 Subject: [PATCH] more tweaks to client/server doc pages --- doc/src/Howto_client_server.txt | 4 ++-- doc/src/server_mc.txt | 6 +++--- doc/src/server_md.txt | 16 +++++++++------- 3 files changed, 14 insertions(+), 12 deletions(-) diff --git a/doc/src/Howto_client_server.txt b/doc/src/Howto_client_server.txt index 061c4efb68..aa6b8eab76 100644 --- a/doc/src/Howto_client_server.txt +++ b/doc/src/Howto_client_server.txt @@ -61,7 +61,7 @@ client or server. "message"_message.html "fix client md"_fix_client_md.html = LAMMPS is a client for running MD "server md"_server_md.html = LAMMPS is a server for computing MD forces -"server mc"_server_mc.html = LAMMPS is a server for computing a Monte Carlo energy +"server mc"_server_mc.html = LAMMPS is a server for computing a Monte Carlo energy :ul The server doc files give details of the message protocols for data that is exchanged bewteen the client and server. @@ -119,7 +119,7 @@ For message exchange in {mpi/one} mode: Launch both codes in a single mpirun command: -mpirun -np 2 lmp_mpi -mpicolor 0 -in in.message.client -log log.client : -np 4 lmp_mpi -mpicolor 1 -in in.message.server -log log.server +mpirun -np 2 lmp_mpi -mpicolor 0 -in in.message.client -log log.client : -np 4 lmp_mpi -mpicolor 1 -in in.message.server -log log.server :pre The two -np values determine how many procs the client and the server run on. diff --git a/doc/src/server_mc.txt b/doc/src/server_mc.txt index 53ccfc8ecd..58ca415be3 100644 --- a/doc/src/server_mc.txt +++ b/doc/src/server_mc.txt @@ -63,7 +63,7 @@ See the src/MESSAGE/server_mc.cpp file for details on how LAMMPS uses these messages. See the examples/COUPLE/lammmps_mc/mc.cpp file for an example of how an MC driver code can use these messages. -Let NATOMS=1, EINIT=2, DISPLACE=3, ACCEPT=4, RUN=5. +Define NATOMS=1, EINIT=2, DISPLACE=3, ACCEPT=4, RUN=5. [Client sends one of these kinds of message]: @@ -93,9 +93,9 @@ cs->pack(2,3*natoms,x) # 2nd field = 3N coords of Natoms :pre cs->send(DISPLACE,1) # msgID = 3 with 1 field cs->pack_double(1,poteng) # 1st field = new potential energy of system :pre -cs->send(ACCEPT,0) # msgID = 4 with no fields +cs->send(ACCEPT,0) # msgID = 4 with no fields :pre -cs->send(RUN,0) # msgID = 5 with no fields +cs->send(RUN,0) # msgID = 5 with no fields :pre :line diff --git a/doc/src/server_md.txt b/doc/src/server_md.txt index 0db7bbe16b..753542dc75 100644 --- a/doc/src/server_md.txt +++ b/doc/src/server_md.txt @@ -51,9 +51,9 @@ can complete the timestep. This command could also be used with a client code that performs energy minimization, using the server to compute forces and energy each iteration of its minimizer. -When using the "fix client/md" command, LAMMPS (as the client code) -does the timestepping and receives needed energy, forces, and pressure -values from the server code. +When using the "fix client/md"_fix_client_md.html command, LAMMPS (as +the client code) does the timestepping and receives needed energy, +forces, and pressure values from the server code. The format and content of the exchanged messages are explained here in a conceptual sense. Python-style pseudo code for the library calls to @@ -69,9 +69,11 @@ a quantum code (VASP) can use use these messages. The following pseudo-code uses these values, defined as enums. -enum{SETUP=1,STEP}; -enum{DIM=1,PERIODICITY,ORIGIN,BOX,NATOMS,NTYPES,TYPES,COORDS,UNITS,CHARGE}; -enum{FORCES=1,ENERGY,PRESSURE,ERROR}; :pre +Define: + +SETUP=1, STEP=2 +DIM=1, PERIODICITY=2, ORIGIN=3, BOX=4, NATOMS=5, NTYPES=6, TYPES=7, COORDS=8, UNITS-9, CHARGE=10 +FORCES=1, ENERGY=2, PRESSURE=3, ERROR=4 :pre [Client sends 2 kinds of messages]: @@ -98,7 +100,7 @@ cs->send(STEP,nfields) # msgID with nfields :pre cs->pack(COORDS,3*natoms,x) # vector of 3N atom coords cs->pack(ORIGIN,3,origin) # lower-left corner of simulation box -cs->pack(BOX,9,box) # 3 edge vectors of simulation box +cs->pack(BOX,9,box) # 3 edge vectors of simulation box :pre [Server replies to either kind of message]: