AMBER Archive (2008)

Subject: Re: AMBER: MKL libraries/Amber10

From: yongleli (yongleli_at_itcc.nju.edu.cn)
Date: Thu May 15 2008 - 21:03:57 CDT

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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