mirror of https://github.com/lammps/lammps.git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8614 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -180,6 +180,8 @@ with a C++ (or Fortran) compiler, as well as an output target that
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ends in ".so", like libatc.o. As we or others create and contribute
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these Makefiles, we will add them to the LAMMPS distribution.
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</P>
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<HR>
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<A NAME = "py_3"></A><H4>11.3 Extending Python with MPI to run in parallel
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</H4>
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<P>If you wish to run LAMMPS in parallel from Python, you need to extend
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@ -346,21 +348,21 @@ correctly.
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<P>Note that any Python script (not just for LAMMPS) can be invoked in
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one of several ways:
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</P>
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<P>% python foo.script
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<PRE>% python foo.script
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% python -i foo.script
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% foo.script
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</P>
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% foo.script
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</PRE>
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<P>The last command requires that the first line of the script be
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something like this:
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</P>
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<P>#!/usr/local/bin/python
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#!/usr/local/bin/python -i
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</P>
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<PRE>#!/usr/local/bin/python
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#!/usr/local/bin/python -i
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</PRE>
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<P>where the path points to where you have Python installed, and that you
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have made the script file executable:
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</P>
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<P>% chmod +x foo.script
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</P>
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<PRE>% chmod +x foo.script
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</PRE>
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<P>Without the "-i" flag, Python will exit when the script finishes.
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With the "-i" flag, you will be left in the Python interpreter when
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the script finishes, so you can type subsequent commands. As
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@ -434,7 +436,7 @@ lmp.put_coords(x) # set all atom coords via x
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</PRE>
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<HR>
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<P>IMPORTANT NOTE: Currenlty, the creation of a LAMMPS object does not
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<P>IMPORTANT NOTE: Currently, the creation of a LAMMPS object does not
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take an MPI communicator as an argument. There should be a way to do
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this, so that the LAMMPS instance runs on a subset of processors if
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desired, but I don't know how to do it from Pypar. So for now, it
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@ -176,6 +176,8 @@ with a C++ (or Fortran) compiler, as well as an output target that
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ends in ".so", like libatc.o. As we or others create and contribute
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these Makefiles, we will add them to the LAMMPS distribution.
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:line
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11.3 Extending Python with MPI to run in parallel :link(py_3),h4
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If you wish to run LAMMPS in parallel from Python, you need to extend
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@ -344,18 +346,18 @@ one of several ways:
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% python foo.script
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% python -i foo.script
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% foo.script
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% foo.script :pre
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The last command requires that the first line of the script be
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something like this:
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#!/usr/local/bin/python
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#!/usr/local/bin/python -i
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#!/usr/local/bin/python -i :pre
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where the path points to where you have Python installed, and that you
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have made the script file executable:
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% chmod +x foo.script
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% chmod +x foo.script :pre
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Without the "-i" flag, Python will exit when the script finishes.
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With the "-i" flag, you will be left in the Python interpreter when
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@ -429,7 +431,7 @@ lmp.put_coords(x) # set all atom coords via x :pre
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:line
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IMPORTANT NOTE: Currenlty, the creation of a LAMMPS object does not
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IMPORTANT NOTE: Currently, the creation of a LAMMPS object does not
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take an MPI communicator as an argument. There should be a way to do
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this, so that the LAMMPS instance runs on a subset of processors if
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desired, but I don't know how to do it from Pypar. So for now, it
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