Loading doc/src/Build_extras.txt +7 −3 Original line number Diff line number Diff line Loading @@ -380,9 +380,13 @@ file. MESSAGE package :h4,link(message) This package can optionally include support for messaging via sockets, using the open-source "ZeroMQ library"_http://zeromq.org, which must be installed on your system. [CMake build]: No additional settings are needed besides "-D PKG_MESSAGE=yes". -D MESSAGE_ZMQ=value # build with ZeroMQ support, value = no (default) or yes [Traditional make]: Loading @@ -398,8 +402,8 @@ make lib-message args="-s" # build as serial lib with no ZMQ support The build should produce two files: lib/message/cslib/src/libmessage.a and lib/message/Makefile.lammps. The latter is copied from an existing Makefile.lammps.* and has settings to link with the open-source ZMQ library if requested in the build. existing Makefile.lammps.* and has settings to link with the ZeroMQ library if requested in the build. :line Loading doc/src/Howto_client_server.txt +1 −1 Original line number Diff line number Diff line Loading @@ -40,7 +40,7 @@ package"_Packages_details.html#PKG-MESSAGE which implements several commands that enable LAMMPS to act as a client or server, as discussed below. The MESSAGE package also wraps a client/server library called CSlib which enables two codes to exchange messages in different ways, either via files, a socket, or MPI. The CSlib is provided with LAMMPS either via files, sockets, or MPI. The CSlib is provided with LAMMPS in the lib/message dir. The CSlib has its own "website"_http://cslib.sandia.gov with documentation and test programs. Loading doc/src/fix_client_md.txt +11 −11 Original line number Diff line number Diff line Loading @@ -2,7 +2,7 @@ :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :link(lc,Commands_all.html) :line Loading @@ -25,11 +25,11 @@ This fix style enables LAMMPS to run as a "client" code and communicate each timestep with a separate "server" code to perform an MD simulation together. "This section"_Section_howto.html#howto_29 gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. The "Howto client/server"_Howto_client_server.html doc page gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. When using this fix, LAMMPS (as the client code) passes the current coordinates of all particles to the server code each timestep, which Loading Loading @@ -80,9 +80,9 @@ virial as part of "thermodynamic output"_thermo_style.html. The default is {virial yes} This fix computes a global scalar which can be accessed by various "output commands"_Section_howto.html#howto_15. The scalar is the potential energy discussed above. The scalar value calculated by this fix is "extensive". "output commands"_Howto_output.html. The scalar is the potential energy discussed above. The scalar value calculated by this fix is "extensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy Loading @@ -91,8 +91,8 @@ minimization"_minimize.html. [Restrictions:] This fix is part of the MESSAGE package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. was built with that package. See the "Build package"_Build_package.html doc page for more info. A script that uses this command must also use the "message"_message.html command to setup the messaging protocol with Loading doc/src/message.txt +16 −13 Original line number Diff line number Diff line Loading @@ -2,7 +2,7 @@ :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :link(lc,Command_all.html) :line Loading Loading @@ -44,11 +44,11 @@ message server md mpi/two tmp.couple :pre Establish a messaging protocol between LAMMPS and another code for the purpose of client/server coupling. "This section"_Section_howto.html#howto_29 gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. The "Howto client/server"_Howto_client_server.html doc page gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. :line Loading Loading @@ -82,9 +82,12 @@ The filename can include a path. Both codes must be able to access the path/file in a common filesystem. For mode {zmq}, the 2 codes communicate via a socket on the server code's machine. The client specifies an IP address (IPv4 format) or the DNS name of the machine the server code is running on, followed by a 4-digit port ID for the socket, separated by a colon. E.g. code's machine. Support for socket messaging is provided by the open-source "ZeroMQ library"_http://zeromq.org, which must be installed on your system. The client specifies an IP address (IPv4 format) or the DNS name of the machine the server code is running on, followed by a 4-digit port ID for the socket, separated by a colon. E.g. localhost:5555 # client and server running on same machine 192.168.1.1:5555 # server is 192.168.1.1 Loading @@ -106,8 +109,8 @@ mpirun -np 2 lmp_mpi -mpi 2 -in in.client -log log.client : -np 4 othercode args mpirun -np 2 othercode args : -np 4 lmp_mpi -mpi 2 -in in.server # LAMMPS is server :pre Note the use of the "-mpi P" command-line argument with LAMMPS. See the "command-line args"_Section_start.html#start_6 doc page for further explanation. the "command-line args"_Run_options.html doc page for further explanation. For mode {mpi/two}, the 2 codes communicate via MPI, but are launched be 2 separate mpirun commands. The specified {filename} argument is a Loading Loading @@ -149,8 +152,8 @@ fix client or server command. [Restrictions:] This command is part of the MESSAGE package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS was built with that package. See the "Build package"_Build_package.html doc page for more info. [Related commands:] Loading doc/src/server.txt +8 −8 Original line number Diff line number Diff line Loading @@ -2,7 +2,7 @@ :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :link(lc,Commands_all.html) :line Loading @@ -26,11 +26,11 @@ message back to the client. The specified {protocol} determines the format and content of messages LAMMPS expects to receive and how it responds. "This section"_Section_howto.html#howto_29 gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. The "Howto client/server"_Howto_client_server.html doc page gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. When this command is invoked, LAMMPS will run in server mode in an endless loop, waiting for messages from the client code. The client Loading @@ -57,8 +57,8 @@ mc"_server_mc.html doc page for details on the protocol. [Restrictions:] This command is part of the MESSAGE package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS was built with that package. See the "Build package"_Build_package.html doc page for more info. A script that uses this command must also use the "message"_message.html command to setup the messaging protocol with Loading Loading
doc/src/Build_extras.txt +7 −3 Original line number Diff line number Diff line Loading @@ -380,9 +380,13 @@ file. MESSAGE package :h4,link(message) This package can optionally include support for messaging via sockets, using the open-source "ZeroMQ library"_http://zeromq.org, which must be installed on your system. [CMake build]: No additional settings are needed besides "-D PKG_MESSAGE=yes". -D MESSAGE_ZMQ=value # build with ZeroMQ support, value = no (default) or yes [Traditional make]: Loading @@ -398,8 +402,8 @@ make lib-message args="-s" # build as serial lib with no ZMQ support The build should produce two files: lib/message/cslib/src/libmessage.a and lib/message/Makefile.lammps. The latter is copied from an existing Makefile.lammps.* and has settings to link with the open-source ZMQ library if requested in the build. existing Makefile.lammps.* and has settings to link with the ZeroMQ library if requested in the build. :line Loading
doc/src/Howto_client_server.txt +1 −1 Original line number Diff line number Diff line Loading @@ -40,7 +40,7 @@ package"_Packages_details.html#PKG-MESSAGE which implements several commands that enable LAMMPS to act as a client or server, as discussed below. The MESSAGE package also wraps a client/server library called CSlib which enables two codes to exchange messages in different ways, either via files, a socket, or MPI. The CSlib is provided with LAMMPS either via files, sockets, or MPI. The CSlib is provided with LAMMPS in the lib/message dir. The CSlib has its own "website"_http://cslib.sandia.gov with documentation and test programs. Loading
doc/src/fix_client_md.txt +11 −11 Original line number Diff line number Diff line Loading @@ -2,7 +2,7 @@ :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :link(lc,Commands_all.html) :line Loading @@ -25,11 +25,11 @@ This fix style enables LAMMPS to run as a "client" code and communicate each timestep with a separate "server" code to perform an MD simulation together. "This section"_Section_howto.html#howto_29 gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. The "Howto client/server"_Howto_client_server.html doc page gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. When using this fix, LAMMPS (as the client code) passes the current coordinates of all particles to the server code each timestep, which Loading Loading @@ -80,9 +80,9 @@ virial as part of "thermodynamic output"_thermo_style.html. The default is {virial yes} This fix computes a global scalar which can be accessed by various "output commands"_Section_howto.html#howto_15. The scalar is the potential energy discussed above. The scalar value calculated by this fix is "extensive". "output commands"_Howto_output.html. The scalar is the potential energy discussed above. The scalar value calculated by this fix is "extensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy Loading @@ -91,8 +91,8 @@ minimization"_minimize.html. [Restrictions:] This fix is part of the MESSAGE package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. was built with that package. See the "Build package"_Build_package.html doc page for more info. A script that uses this command must also use the "message"_message.html command to setup the messaging protocol with Loading
doc/src/message.txt +16 −13 Original line number Diff line number Diff line Loading @@ -2,7 +2,7 @@ :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :link(lc,Command_all.html) :line Loading Loading @@ -44,11 +44,11 @@ message server md mpi/two tmp.couple :pre Establish a messaging protocol between LAMMPS and another code for the purpose of client/server coupling. "This section"_Section_howto.html#howto_29 gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. The "Howto client/server"_Howto_client_server.html doc page gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. :line Loading Loading @@ -82,9 +82,12 @@ The filename can include a path. Both codes must be able to access the path/file in a common filesystem. For mode {zmq}, the 2 codes communicate via a socket on the server code's machine. The client specifies an IP address (IPv4 format) or the DNS name of the machine the server code is running on, followed by a 4-digit port ID for the socket, separated by a colon. E.g. code's machine. Support for socket messaging is provided by the open-source "ZeroMQ library"_http://zeromq.org, which must be installed on your system. The client specifies an IP address (IPv4 format) or the DNS name of the machine the server code is running on, followed by a 4-digit port ID for the socket, separated by a colon. E.g. localhost:5555 # client and server running on same machine 192.168.1.1:5555 # server is 192.168.1.1 Loading @@ -106,8 +109,8 @@ mpirun -np 2 lmp_mpi -mpi 2 -in in.client -log log.client : -np 4 othercode args mpirun -np 2 othercode args : -np 4 lmp_mpi -mpi 2 -in in.server # LAMMPS is server :pre Note the use of the "-mpi P" command-line argument with LAMMPS. See the "command-line args"_Section_start.html#start_6 doc page for further explanation. the "command-line args"_Run_options.html doc page for further explanation. For mode {mpi/two}, the 2 codes communicate via MPI, but are launched be 2 separate mpirun commands. The specified {filename} argument is a Loading Loading @@ -149,8 +152,8 @@ fix client or server command. [Restrictions:] This command is part of the MESSAGE package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS was built with that package. See the "Build package"_Build_package.html doc page for more info. [Related commands:] Loading
doc/src/server.txt +8 −8 Original line number Diff line number Diff line Loading @@ -2,7 +2,7 @@ :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :link(lc,Commands_all.html) :line Loading @@ -26,11 +26,11 @@ message back to the client. The specified {protocol} determines the format and content of messages LAMMPS expects to receive and how it responds. "This section"_Section_howto.html#howto_29 gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. The "Howto client/server"_Howto_client_server.html doc page gives an overview of client/server coupling of LAMMPS with another code where one code is the "client" and sends request messages to a "server" code. The server responds to each request with a reply message. This enables the two codes to work in tandem to perform a simulation. When this command is invoked, LAMMPS will run in server mode in an endless loop, waiting for messages from the client code. The client Loading @@ -57,8 +57,8 @@ mc"_server_mc.html doc page for details on the protocol. [Restrictions:] This command is part of the MESSAGE package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS was built with that package. See the "Build package"_Build_package.html doc page for more info. A script that uses this command must also use the "message"_message.html command to setup the messaging protocol with Loading
