sun...@chem.iitb.ac.in a écrit :
> Dear Users,
>
> Openmpi is installed in a Intel Xeon quad core 2.4Ghz machine loaded with
> Red Hat Enterprise Linux 5. The loaded openmpi version is 1.2.5. While
> trying to install CHARMM software, it asked for the path of mpi.h file and
> library files libmpi. I didn't find 'include' folder in the openmpi folder
> which contains all the header files like mpi.h. However, it contains
> 'bin', 'etc', 'lib' and 'share' sub-folders.
>
> It looks like that mpi.h file does not exist. Which version of openmpi has
> the mpi.h header file?
>
Maybe you have to install the openmpi-devel packages ?
Then you have to use mpicc in order to compile charmm.
Regards,
Romaric
