Re: [AMBER] AmberTools19/AMBER18 - FFTW3 and MKL compiling issues

From: Tyler Luchko (Lists) <"Tyler>
Date: Fri, 16 Aug 2019 16:54:35 -0700

> On Aug 16, 2019, at 1:54 PM, David Case <> wrote:
> On Fri, Aug 16, 2019, viktor drobot wrote:
>> Seems like the problem persists even with Intel 15.0.3 compilers:
> Are you using the "-j" option for make? If so, it might help to leave that
> out (or use "-j1") to get better error messages.
> [Tyler: it kind of looks like this error is related to volslice, but it's hard
> to tell.]
> If you just want to see if you get some performance boost for QM/MM, try
> commenting out the build of rism in AMBERHOME/AmberTools/src/Makefile.
I’m not sure why this is happening as I compile with MKL and Intel all the time without issue.

To get a better idea, I suggest building with

make -j 1 VB=''

This should give a better idea of which file is causing this problem and the compiler command used.

Otherwise, if you are not using RISM, then commenting it out of the makefile may work.


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Received on Fri Aug 16 2019 - 17:00:02 PDT
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