- DYNAMIC_LIB : these are the libraries needed to compile the plumed
library (e.g. -L/path/to/matheval -lmatheval etc). Notice that for the
plumed shared library to be compiled properly these should be dynamic
libraries.
libraries. Also notice that plumed requires BLAS and LAPACK library;
see \ref BlasAndLapack for further info.
- CPPFLAGS : add here definition needed to enable specific optional functions;
e.g. use -D__PLUMED_HAS_MATHEVAL to enable matheval library
- SOEXT : this gives the extension for shared libraries in your system, typically
...
...
@@ -83,6 +84,29 @@ You can force plumed to run anyway using the option --standalone-executable:
Anyway, many features will not be available in this way.
This is currently the only way to use a plumed static executable on Windows.
\section BlasAndLapack BLAS and LAPACK
We tried to keep PLUMED as independent as possible from external libraries.
Moreover, some libraries (e.g. Almost and Matheval) providing
extra features are optional. However, to have a properly working PLUMED
you need to link BLAS and LAPACK libraries. Here you find some note.
First of all, the DYNAMIC_LIB variable in the configuration file
should contain the flag necessary to load these libraries
(typically -llapack -lblas, but full path specification with -L
should be necessary depending on your system configuration).
Even though you can incur in some problem.
- If the linker complains and suggest to recompiled lapack with -fPIC, it means that you have static lapack libraries. Either install dynamic lapack libraries
or switch to static compilation of PLUMED (by unsetting the SOEXT variable
in configuration file).
- If the linker complains that dsyevr_ cannot be found, try to add
-DF77_NO_UNDERSCORE to CPPFLAGS
- If the linker complains about other missing functions (typically starting with
"for_" prefix) then you should link also Fortran libraries. Indeed, PLUMED
is written in C++ and often C++ linkers do not include by default Fortran libraries
which are required for lapack and blas to work. Please check the documentation of your compiler.
