HFX_MEM_INFO | RUNTIME FAIL
Vladimir Rybkin
rybk... at gmail.com
Thu Mar 23 12:25:34 UTC 2017
Dear SS,
in the first place try to use a fresher version of the code. Is there a
particular reason for using 2.6?
Yours,
Vladimir
среда, 22 марта 2017 г., 22:20:41 UTC+1 пользователь lcq... at gmail.com
написал:
>
> Hi,
>
> After some re-thinking, I managed to install a partially working cp2k.popt
> binary of the 2.6.0 version of the cp2k code.
>
> I say, partially, because after running the "do_regtest" script, I got 131
> errors in the summary report. All of them, containing the following piece
> of text:
>
> HFX_MEM_INFO | Est. max. program size before HFX [MB's]
>
> In principle, I attribute this error message to the lack of accuracy in
> compiling the libint and libxc libraries; but after compiling the
> libraries separately together with the following wrapper
> "libint_cpp_wrapper.cpp". I still get the same number of error files in the
> summary report.
>
> Interestingly, my compilation with "gfortran" only produces 5 errors in
> the summary report.
>
> Is there a way to *patch* the binaries that have been compiled with Intel,
> so that a more clean compilation of the cp2k.popt binary can be achieved?
>
> Thanks in advance,
> Any pointers as to how to avoid this error are appreciated.
>
> Best,
> -SS
>
>
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