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).
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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.
<snip> I was just talking to one of the researchers here who's built it, and pointed out the completely obvious (once he pointed it out): the "<blank> not a dynamic executable" tells you that that piece, at least, is statically linked, *not* dynamic. He recommends getting a core dump, so you can do a traceback.
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