AMBER Archive (2004)

Subject: Re: AMBER: Mac OSX xleap compilation

From: Mengjuei Hsieh (
Date: Fri Apr 02 2004 - 01:19:30 CST

Dear Dr. Pantano,

How about the command "make World" under src/leap directory?

For optimization, you can use link apple's lapack/blas library for a little
boost. Just remember to setenv VENDOR_BLAS and VENDOR_LAPACK, also add
"-framework Accelerate" to LOADLIB variable.

Honestly, I would rather use IBM's compiler than g77 if you are really
serious about the speed on G5.


Mengjuei Hsieh

on 4/1/04 10:32 PM, Sergio Pantano at wrote: > Hi all, > I tried to install Amber 7 on a G5 using g77 compiler, everithing fine but > xleap, it seems to be that the command imake is not recognized. > I have installed the last version of Apple's X11 with SDK. > Does anybody have an idea of how to fix it? > Thanks! > By the way, compliations flags to speed up the code are also welcome! > by > Sergio

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