For the past several days, I have been attempting to compile two programs - on our group’s beowulf cluster - but with not much success. There are a variety of issues associated with these programs and some are as follows:

1. SMEAGOL 1.0 (the second program) has SIESTA 1.3 as its core.
2. Neither of these programs can be compiled with Intel compilers - when attempted to compile, process ends generating few pages worth of error messages.
3. SIESTA 1.3 can be compiled with Portland Group compilers but only in serial fashion. The parallel version seems to have a mind of its own. It runs for a given input configuration while sometimes just refuses to write any output for the same input file.
4. SMEAGOL 1.0, as a result of having SIESTA 1.3 as its core, exhibits a similar, mind-of-its-own behavior.

Communication with the developers (of SMEAGOL) did help to a certain extent but not to an extent that we can actually compile (and run) the parallel version. Physical systems we are studying are computationally very very expensive to be run using/ serial version. If any of you readers have had experience with this (and/or such other) programs, /me sincerely requests for help. Hoping for a Christmas miracle yet again…