CHARMM Development Project
Hello,

./install.com doesn't work

install.com> Phase 3 completed.
install.com> WARNING: install.com is deprecated
install.com> and will be removed from future releases.
install.com> Please use ./configure and CMake.

and configure doesn't work , it says:

ERROR cmake configure failed
check cmake log files and try again

I don't remember how I made this step pass yesterday, but the second error would be :

Fatal Error: Cannot read module file 'mpi.mod' opened at (1), because it was created by a different version of GNU Fortran

I don't know how to check the versions and compile mpi.mod using the same compiler version. head -1 mpi.mod and zcat mpi.mod | head -1 give me command not found error.

Thank you.
You can check the gfortran version via

gfortran --version

Version 5 or later of the GCC suite (with gcc and gfortran) is recommended; the default that comes with a Linux distribution may not be the best choice.

The mpi.mod file is created when the MPI library is built, so if it doesn't match, you may need to build a new MPI library with the same compiler you will use to compile CHARMM. The file exists in the MPI installation, usually in the lib or include subdirectory.

Details on any cmake errors are usually found in CMakeFiles/CMakeError.log in the directory where configure was run, or perhaps build/cmake if you did not create a new build directory as recommended.
© CHARMM forums