[gmx-users] Compile-time errors with MKL

Elton Carvalho eltonfc at if.usp.br
Wed Jul 14 04:34:07 CEST 2010

On Tue, Jul 13, 2010 at 10:52 PM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> On 13/07/2010 11:28 PM, Elton Carvalho wrote:
>> Because using "-lmkl" returns an error like "-lmkl not found", so, to
>> remove "-lmkl" from the configure I need to edit the line. That is
>> what earlier posts in this list (which the FAQ points to) recommends.
> I would object to the form of that solution too.

I understand that editinf ./configre by hand isn't the best way of doing this.

What I mean is that the ./configure file, as shipped, contains an
obsolete argument, namely "-lmkl", which causes compilation faliures
because there is no libmkl.* file in ${MKL}/lib/em64t.

So, I get this error:

ld: cannot find -lmkl

In fact, Intel's documentation never mention -lmkl, but
-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core, for example.

Should I file a bug?

>> Are there still problems with gcc 4.x?
> gcc 4.1.x is still thought to have problems in some cases. Other gcc4 are
> generally fine.

I managed to make icc work with fftw3 and all went fine, I'll keep icc
for the while and try to make MKL work.

Elton Carvalho
Tel.: +55 11 3091-6985/6922
Dept Física dos Materiais e Mecânica
Instituto de Física
Universidade de São Paulo
P.O. Box 66318 - 05314-970 São Paulo-SP, Brazil

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