(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:
(3) The "system-specific settings" section has 5 parts.
diff --git a/doc/Section_start.txt b/doc/Section_start.txt index 303366ec84..730e740608 100644 --- a/doc/Section_start.txt +++ b/doc/Section_start.txt @@ -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. diff --git a/doc/pair_meam.html b/doc/pair_meam.html index 9fe245a95a..f80c4331d9 100644 --- a/doc/pair_meam.html +++ b/doc/pair_meam.html @@ -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 = 0Rc, delr, re are in distance units (Angstroms in the case of metal diff --git a/doc/pair_meam.txt b/doc/pair_meam.txt index 0ddec592fa..cb7568a6a8 100644 --- a/doc/pair_meam.txt +++ b/doc/pair_meam.txt @@ -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