[gmx-developers] Bug in gmx_wham

Béla Voß bela.voss at mpibpc.mpg.de
Mon Aug 17 16:22:47 CEST 2015


the read_pdo_data() and read_pull_xf() functions in gmx_wham.cpp
internally convert timestamps to femtoseconds. When reading long data
files, this can lead to integer overflows due to a static cast to int.
(microseconds are not the future anymore)

To fix this (for now), I recommend casting to a 64bit integer, as
suggested in the attached patch file.

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