Hi,
MKL + GNU compilers is not a well-tested combination so I'm not
surprised this popped up. Thanks for the report and for checking the
linker flags. I've also found that the OpenMP compile with g++ needed
some flags changed as well. This should now be fixed in the GitHub
version (
https://github.com/Amber-MD/cpptraj/pull/568). If you
wouldn't mind seeing if the fix works for you as well I will work on a
patch for AmberTools ASAP. Thanks again!
-Dan
On Fri, Nov 10, 2017 at 11:35 AM, Joachim Hein <joachim.hein.math.lu.se> wrote:
> Sorry, wrong screenshot. This is hopefully better.
>
> Joachim
>
>
> [cid:E14C8B9B-B197-4F07-AEE8-71E6D698E47C.lunarc.lu.se]
> On 10 Nov 2017, at 17:32, Joachim Hein <joachim.hein.math.lu.se<mailto:joachim.hein.math.lu.se>> wrote:
>
> Hi,
>
> I am building Amber 16 with Amber Tools 17 (patchlevel) of today, with GCC 6.4.0 and MKL 2017.3.196. I am getting errors from the linker about the dl library. Looking at the MKL advisor web page <Screen Shot 2017-11-10 at 17.27.14.png>
>
> it seems for C++ links your are missing -ldl (and possibly -lm). If I manually link the executables cpptraj , ambpdb
> with a -lm -ldl added to the end of the link lines and restart the make install, the build succeeds. I haven’t full understood your make recipes, but I saw statements that -ldl is needed for gfortan with mkl. It is also needed for g++. You may want to look into this.
>
> I am currently running the test suite on the serial executable.
>
> Best wishes
> Joachim
>
>
>
>
>
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>
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Nov 14 2017 - 09:30:03 PST
