We're finding that several of the packages we need don't compile using the version 4.1.2 of gfortran that comes with CentOS 5.4. So, I've built the latest version of gfortran (e.g. 4.4.2) but I've done it so that all the new version's files go in /share/apps/gnu so that they don't interfere with the standard gcc distribution (building gfortran requires building some parts of gcc).
Although I can compile and run a simple fortran "Hello, world" program using the version of gfortran I built this way, trying to run a more complex application, such as charmm (a molecular dynamics program), fails. When I run charmm, I get the message "Killed".
Running strace ./charmm shows
execve("./charmm", ["./charmm"], [/* 43 vars */] <unfinished ...> +++ killed by SIGKILL
Since "Hello, world" compiles and runs, but charmm compiles and doesn't run, there's something wrong with how charmm is linked. Also, although the 'file charmm' command shows an ELF 64-bit dynamically linked file, 'ldd charmm' says " not a dynamic executable" (note no file name). So, something is strange.
What have other people done about building new versions of gfortran on CentOS 5.4? Is this worth the trouble? Or, is it better to just go with Intel Fortran?
Cordially,