I have encountered a problem during compilation of charmm with GAMUS.
I have used the following string for compilation
./install.com gnu large gfortran x86_64 gamus
The output: //----------------------------------- ~/charmm/source/gamus/gamus.F90:607.34:
use param_store, only: set_params 1 Error: Symbol 'set_params' referenced at (1) not found in module 'param_store' make: *** [gamus.o] Error 1 //-------------------------------------
As i understand, the problem is not in linkage of LAPACK and BLAS. Something wrong with compilation.
Yeap, now compilation is successful, but a have a lot of undefined references on a linkage stage concerning C++ structures.
For example, undefined reference to `std::cout' undefined reference to `std::string::append(std::string const&)' undefined reference to `std::string::assign(std::string const&)'
As i understand I need to point out the C++ library explicitly, like -lstdc++ or somehow else.
Could you please tell me how can I show it via using install script?
I don't know which CHARMM version you have, but you should get the most recent version (free to download from http://charmm.chemistry.harvard.edu/charmm_lite.php) and use the cmake installation procedure.
Lennart Nilsson Karolinska Institutet Stockholm, Sweden
