git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6574 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2011-08-01 14:07:27 +00:00
parent c80cc31a22
commit 35db9c4ddb
4 changed files with 36 additions and 18 deletions

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@ -142,13 +142,19 @@ gmake -f Makefile.list mac
the file names in your src dir. The 2nd "make" command (make or
gmake) will use it to build LAMMPS.
</P>
<P>(2) Other errors typically occur because the low-level Makefile isn't
<P>(2) If you get an error that says something like 'identifier "atoll"
is undefined', then your machine does not support "long long"
integers, and you need to edit the src/lmptype.h file. There is a
comment in the file about what to do. Basically you replace
MPI_LONG_LONG with MPI_LONG and atoll with atol.
</P>
<P>(3) Other errors typically occur because the low-level Makefile isn't
setup correctly for your machine. If your platform is named "foo",
you will need to create a Makefile.foo in the MAKE sub-directory. Use
whatever existing file is closest to your platform as a starting
point. See the next section for more instructions.
</P>
<P>(3) If you get a link-time error about missing libraries or missing
<P>(4) If you get a link-time error about missing libraries or missing
dependencies, then it can be because:
</P>
<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>
@ -191,9 +197,12 @@ dependency list for a source file. This speeds re-compilation when
source (*.cpp) or header (*.h) files are edited. Some compilers do
not support dependency file creation, or may use a different switch
than -D. GNU g++ works with -D. If your compiler can't create
dependency files (a long list of errors involving *.d files), then
you'll need to create a Makefile.foo patterned after Makefile.storm,
which uses different rules that do not involve dependency files.
dependency files, then you'll need to create a Makefile.foo patterned
after Makefile.storm, which uses different rules that do not involve
dependency files. Note that when you build LAMMPS for the first time
on a new platform, a long list of *.d files will be printed out
rapidly. This is not an error; it is the Makefile doing its normal
creation of dependencies.
</P>
<P>(3) The "system-specific settings" section has 5 parts.
</P>

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