Thank you for reporting this bug. I can submit the bug fix for it.
Kellon A. A. Belfon, PhD
Computational Chemist
Phone: (347) 546-4237 <(347)+546+4237> Email: kellonbelfon.gmail.com
<kellonbelfon.gmail.com>
On Mon, Oct 25, 2021 at 4:57 PM David A Case <david.case.rutgers.edu> wrote:
> On Mon, Oct 25, 2021, Thomas Zeiser wrote:
> >
> >gcc-11.2.0 fails to compile src/pmemd/src/cuda/gpu.cpp line 2852
> >with "error: ordered comparison of pointer with integer zero".
> >
> >That line 2852 also look suspicious:
> >if (nmrat[i][0] >= 0 && nmrat[i][1] >= 0 && nmrat[i][2] >= 0 && nmrat[3]
> >= 0) {
>
> It seems quite clear that one should replace "nmrat[3]" above with
> "nmrat[i][3]". Can you give that a try?
>
> Thanks for the report.....dac
>
>
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Received on Tue Oct 26 2021 - 13:00:02 PDT
