AMBER Archive (2008)

Subject: RE: AMBER: MKL libraries/Amber10

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu May 15 2008 - 21:59:16 CDT

Indeed, although as far as I can tell the following works just fine:

 

/opt/intel/mkl/10.0.1.014//lib/em64t/libmkl_lapack.a
/opt/intel/mkl/10.0.1.014//lib/em64t/libmkl_em64t.a -L/opt/intel/mkl/10.0.1.
014//lib/em64t -lguide –lpthread

 

This is what the amber 10 configure script sets up and it compiles and links
fine for me. Perhaps Intel will deprecate this interface in later versions
but for the moment it works fine. Note you should also make sure you
correctly source the MKL environment scripts in your bashrc. I.e.

 

export MKL_HOME=/opt/intel/mkl/10.0.1.014/

source $MKL_HOME/tools/environment/mklvarsem64t.sh

 

All the best

Ross

 

 

From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
yongleli
Sent: Thursday, May 15, 2008 7:04 PM
To: amber_at_scripps.edu
Subject: Re: AMBER: MKL libraries/Amber10

 

There are many changes in the Intel compiler 10.x version, you will find the
detailed instructions from

the user guide pp. 5-5. A reasonable option list chosen on Intel Xeon 64 CPU
is:

 

LOADLIB= -L/usr/intel/mkl/10.0.1.014/lib/em64t -lmkl_vml_mc
-lmkl_solver_lp64 -lmkl_em64t -lmkl_lappack95 -lmkl_core -lguide -lpthread

 

The most different feature from early versions is the need of adding
-lmkl_core, -lmkl_<CPU type>, and -lmkl_solver<_CPU type> options.

  _____

yongleli

2008-05-16

  _____

发件人： Francesco Pietra

发送时间： 2008-05-16 02:06:59

收件人： Amber

抄送：

主题： AMBER: MKL libraries/Amber10

 

Being in the process of installing Amber10, I also move from Intel compilers
9 to 10. What about the present prospects for the Intel MKL libraries
(version 10 compilers) with respect to Amber10? Are there the same
limitations as for Amber9?

Thanks

francesco pietra

 

 

 

 

      

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