git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6574 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -142,13 +142,19 @@ gmake -f Makefile.list mac
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the file names in your src dir. The 2nd "make" command (make or
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gmake) will use it to build LAMMPS.
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</P>
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<P>(2) Other errors typically occur because the low-level Makefile isn't
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<P>(2) If you get an error that says something like 'identifier "atoll"
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is undefined', then your machine does not support "long long"
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integers, and you need to edit the src/lmptype.h file. There is a
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comment in the file about what to do. Basically you replace
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MPI_LONG_LONG with MPI_LONG and atoll with atol.
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</P>
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<P>(3) Other errors typically occur because the low-level Makefile isn't
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setup correctly for your machine. If your platform is named "foo",
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you will need to create a Makefile.foo in the MAKE sub-directory. Use
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whatever existing file is closest to your platform as a starting
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point. See the next section for more instructions.
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</P>
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<P>(3) If you get a link-time error about missing libraries or missing
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<P>(4) If you get a link-time error about missing libraries or missing
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dependencies, then it can be because:
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</P>
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<UL><LI>you are including a package that needs an extra library, but have not pre-built the necessary <A HREF = "#2_3_3">package library</A>
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@ -191,9 +197,12 @@ dependency list for a source file. This speeds re-compilation when
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source (*.cpp) or header (*.h) files are edited. Some compilers do
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not support dependency file creation, or may use a different switch
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than -D. GNU g++ works with -D. If your compiler can't create
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dependency files (a long list of errors involving *.d files), then
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you'll need to create a Makefile.foo patterned after Makefile.storm,
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which uses different rules that do not involve dependency files.
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dependency files, then you'll need to create a Makefile.foo patterned
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after Makefile.storm, which uses different rules that do not involve
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dependency files. Note that when you build LAMMPS for the first time
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on a new platform, a long list of *.d files will be printed out
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rapidly. This is not an error; it is the Makefile doing its normal
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creation of dependencies.
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</P>
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<P>(3) The "system-specific settings" section has 5 parts.
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</P>
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@ -137,13 +137,19 @@ The first "make" command will create a current Makefile.list with all
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the file names in your src dir. The 2nd "make" command (make or
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gmake) will use it to build LAMMPS.
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(2) Other errors typically occur because the low-level Makefile isn't
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(2) If you get an error that says something like 'identifier "atoll"
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is undefined', then your machine does not support "long long"
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integers, and you need to edit the src/lmptype.h file. There is a
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comment in the file about what to do. Basically you replace
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MPI_LONG_LONG with MPI_LONG and atoll with atol.
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(3) Other errors typically occur because the low-level Makefile isn't
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setup correctly for your machine. If your platform is named "foo",
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you will need to create a Makefile.foo in the MAKE sub-directory. Use
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whatever existing file is closest to your platform as a starting
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point. See the next section for more instructions.
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(3) If you get a link-time error about missing libraries or missing
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(4) If you get a link-time error about missing libraries or missing
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dependencies, then it can be because:
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you are including a package that needs an extra library, but have not pre-built the necessary "package library"_#2_3_3
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@ -186,9 +192,12 @@ dependency list for a source file. This speeds re-compilation when
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source (*.cpp) or header (*.h) files are edited. Some compilers do
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not support dependency file creation, or may use a different switch
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than -D. GNU g++ works with -D. If your compiler can't create
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dependency files (a long list of errors involving *.d files), then
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you'll need to create a Makefile.foo patterned after Makefile.storm,
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which uses different rules that do not involve dependency files.
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dependency files, then you'll need to create a Makefile.foo patterned
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after Makefile.storm, which uses different rules that do not involve
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dependency files. Note that when you build LAMMPS for the first time
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on a new platform, a long list of *.d files will be printed out
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rapidly. This is not an error; it is the Makefile doing its normal
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creation of dependencies.
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(3) The "system-specific settings" section has 5 parts.
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@ -231,11 +231,11 @@ erose_form = integer value to select the form of the Rose energy function
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default = 0
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emb_lin_neg = integer value to select embedding function for negative densities
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0 = F(rho)=0
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1 = F(rho)=-asub*esub*rho (linear in rho, matches DYNAMO)
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1 = F(rho) = -asub*esub*rho (linear in rho, matches DYNAMO)
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default = 0
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bkg_dyn = integer value to select background density formula
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0 = rho_bkgd=rho_ref_meam(a) (as in the reference structure)
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1 = rho_bkgd=rho0_meam(a)*Z_meam(a) (matches DYNAMO)
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bkgd_dyn = integer value to select background density formula
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0 = rho_bkgd = rho_ref_meam(a) (as in the reference structure)
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1 = rho_bkgd = rho0_meam(a)*Z_meam(a) (matches DYNAMO)
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default = 0
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</PRE>
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<P>Rc, delr, re are in distance units (Angstroms in the case of metal
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@ -228,11 +228,11 @@ erose_form = integer value to select the form of the Rose energy function
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default = 0
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emb_lin_neg = integer value to select embedding function for negative densities
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0 = F(rho)=0
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1 = F(rho)=-asub*esub*rho (linear in rho, matches DYNAMO)
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1 = F(rho) = -asub*esub*rho (linear in rho, matches DYNAMO)
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default = 0
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bkg_dyn = integer value to select background density formula
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0 = rho_bkgd=rho_ref_meam(a) (as in the reference structure)
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1 = rho_bkgd=rho0_meam(a)*Z_meam(a) (matches DYNAMO)
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bkgd_dyn = integer value to select background density formula
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0 = rho_bkgd = rho_ref_meam(a) (as in the reference structure)
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1 = rho_bkgd = rho0_meam(a)*Z_meam(a) (matches DYNAMO)
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default = 0 :pre
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Rc, delr, re are in distance units (Angstroms in the case of metal
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