[Wien] W2kinit_tmp_.F memory limit

Igor I Mazin imazin2 at gmu.edu
Wed Feb 23 14:26:51 CET 2022


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.


More information about the Wien mailing list