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-- -----Original Message----- From: Ross Walker [mailto:ross.rosswalker.co.uk] Sent: Tuesday, August 31, 2010 3:34 AM To: 'AMBER Mailing List' Subject: Re: [AMBER] pmemd installation problem 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 > > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Tue Aug 31 2010 - 23:00:06 PDT