AMBER Archive (2002)

Subject: Re: Intel ifc Compiler

From: David Case (case_at_scripps.edu)
Date: Thu May 30 2002 - 09:00:55 CDT


On Thu, May 30, 2002, Robert Duke wrote:

> I routinely use the 5.0 version of ifc with great success for fortran 90
> code...
> ...but if you use nmropt=2, you will
> run into problems with a hack in either lapack or blas (I forget which)
that
> hangs. The problem is caused by code that is attempting to determine
> machine fp precision, and if the compiler is giving you 80 bit fp register
> precision, the routine loops forever on a compare, as I recollect.

Please see bugfix.1 for Amber 7 (also should apply to Amber 6).

...regards....dac

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================