Hi Claudio,
Are you using version 11 of PMEMD? This should have been addressed in AMBER
11. In earlier versions the MKL linking procedure was the old approach.
Intel changed this in MKL 10.0 onwards I believe. Hence the configure
scripts are not up to date.
You could just skip MKL, unset MKL_HOME and remake the config.h file by
rerunning configure. Alternatively update the MKL libraries in the config.h
file to be:
-L/opt/intel/mkl/10.1.1.019//lib/em64t -Wl,--start-group
/opt/intel/mkl/10.1.1.019//lib/em64t/libmkl_int
el_lp64.a /opt/intel/mkl/10.1.1.019//lib/em64t/libmkl_sequential.a
/opt/intel/mkl/10.1.1.019//lib/em64t/libmkl_core.a
All the best
Ross
> -----Original Message-----
> From: Carra, Claudio (JSC-SK)[Universities Space Research Association]
> [mailto:claudio.carra-1.nasa.gov]
> Sent: Monday, August 30, 2010 4:10 PM
> To: AMBER.ambermd.org
> Subject: [AMBER] pmemd installation problem
>
> Dear All,
> I've been trying to compile pmemd using the new Intel compiler, version
> 11.1
> Somehow I got this error
>
> ifort: error #10236: File not found:
> '/home/carra/bin/intel/composerxe-
> 2011.0.048/mkl/lib/em64t/libmkl_em64t.a'
>
> regardless the correctness of the path, the library libmkl_em64t.a is
> not present anymore, as is was for the
> Intel compiler 11.0
> /bin/intel/mkl/lib/em64t/libmkl_em64t.a
>
> I've installed the mkl, so may be to make a symbolic link to
> libmkl_em64t.a?
> thanks a lot for your time
> best regards
> claudio
>
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Received on Tue Aug 31 2010 - 02:00:03 PDT
