[gmx-developers] Bug in gmx_wham

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


Hello,

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.

Best
Béla
-------------- next part --------------
A non-text attachment was scrubbed...
Name: gmx_wham.cpp.patch
Type: text/x-patch
Size: 1032 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20150817/2ec5cc02/attachment.bin>


More information about the gromacs.org_gmx-developers mailing list