My WIEN2k installation works fine - except for lapw2 -qtl. This module bombs with the following diagnostics:
x lapw2 -qtl -up forrtl: severe (64): input conversion error, unit -5, file Internal List-Directed Read Image PC Routine Line Source lapw2 00000000004D5A6B Unknown Unknown Unknown lapw2 00000000004F8602 Unknown Unknown Unknown lapw2 00000000004F7388 Unknown Unknown Unknown lapw2 0000000000406170 memcheck_ 314 W2kinit_tmp_.F lapw2 000000000045FCC7 l2main_ 235 l2main_tmp_.F lapw2 000000000048D4C9 MAIN__ 767 lapw2_tmp_.F lapw2 00000000004059E2 Unknown Unknown Unknown libc-2.17.so 00002B9646810555 __libc_start_main Unknown Unknown lapw2 00000000004058E9 Unknown Unknown Unknown So, the offending module is W2kinit_tmp_.F, and the routine MemCheck. It appears that the problem is due to the fact that a regular integer cannot hold the relevant number, 3169012916. That is to say, the variables memtotal and memavail must be defined as integer(kind=8). I can redefine them in W2kinit_tmp_, and the error disappears, but of course, it needs to be corrected in all routines that use W2kinit_tmp_ Something that needs to be fixed in the next release. P.S. What I do not understand is why it only bombs with the qtl switch. _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html