AMBER Archive (2007)

Subject: AMBER: Math libraries

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Thu Jun 28 2007 - 04:56:45 CDT

While commanding as user

$ ./configure -static ifort_x86_64

for a preliminary serial compilation of amber9, a suggestion arose to set
MKL_HOME to point to intel's mkl mathematical libraries (which I never
implemented, being limited to libimf.a and libimf.so).

On the other hand

$ ./configure --help

informs that no great improvement can be expected from mkl libraries. I imagine
the less so for no intel's hardw, such as dual-core-opteron, in my case.

QUESTION: has anyone tried to compile amber9 with mathematical acml libraries
(from AMD) which are specialized for opteron? Is the advantage so modest to
disregard the issue? At any event, is there any chance to modify the Makefile
to force amber9 to use acml libraries (once installed)?

Thanks

francesco pietra

       
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