forked from lijiext/lammps
57 lines
2.1 KiB
Plaintext
57 lines
2.1 KiB
Plaintext
This directory contains links to the PLUMED library which is required
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to use the PLUMED package and its fix plumed command in a
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LAMMPS input script. PLUMED should only be downloaded into this directory if
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you wish to statically link the library. If you wish to link PLUMED as
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a dynamic library (as we recommend) then you can compile and build PLUMED
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separately to LAMMPS. To use PLUMED in conjuction with LAMMPS you then simply
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need to ensure that the PLUMED library is in your path at runtime.
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More info about the PLUMED library can be found at http://www.plumed.org.
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You can type "make lib-plumed" from the src directory to see help on
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how to download, build and statically link PLUMED via make commands, or you can
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do the same thing by typing "python Install.py" from within this
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directory. Alternatively you can download and build PLUMED manually by following the instructions
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below.
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-----------------
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Instructions:
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1. Download PLUMED either as a tarball from
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http://www.plumed.org/get-it
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or clone it using git clone https://github.com/plumed/plumed2.git.
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If you download the tarball
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unpack it in unpack it in this /lib/plumed directory.
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Similarly if you clone it clone it to the /lib/plumed
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directory.
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2. Compile PLUMED from within its home directory. In the
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simplest cases this be done by issuing the commands
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% ./configure
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% make
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More detailed instructions can be found at
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http://plumed.github.io/doc-master/user-doc/html/_installation.html
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3. There is no need to install PLUMED if you only wish
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to use it from LAMMPS. You should thus only run
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make install if you want to use PLUMED as a stand-alone
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code or from some other code. To install it you can
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run the following commands:
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a) install under the default /usr/local
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% sudo make install
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b) install under a user-writeable location by first
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changing the PREFIX variable when running the
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configure command file, then
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% make install
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-----------------
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When these steps are complete you can build LAMMPS
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with the PLUMED package installed:
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% cd lammps/src
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% make yes-user-plumed
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% make mpi (or whatever target you wish)
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