Hi,
It crashes only with -qtl, because the memcheck is done only in qtl mode.
Previously we wrote the partial charges for each atom on a file
("help-files"), but now we check if enough memory is available and keep
them in memory.
Obviously, nobody else reported such a problem so far because
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 PCRoutineLineSource
lapw2
Currently [1] the routine MemCheck is only used when the -qtl flag is
present, to check if enough memory is present to store some temporary
files; it is called by l2main.F which would also need integer(8).
Writeinit.F is in SRC_Globals and linked from other directories, so you
don't need more
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