AMBER Archive (2009)

Subject: =?utf-8?B?UmU6IFtBTUJFUl0gQ29tcGlsaW5nIEFtYmVyIDEwIChzZXJpYWwpIG9uIE1hYyBPUyBYIDEwLjUuNyB3LyBnY2MsCUludGVsIEZvcnRhbiAxMS4wIGFuZCBNS0wgMTAuMA==?=

From: vitor.felix (
Date: Tue Jul 21 2009 - 22:15:06 CDT

Sent from my HTC Android phone.

----- Reply message -----
From: "David Watson" <>
Date: Tue, Jul 21, 2009 9:20 PM
Subject: [AMBER] Compiling Amber 10 (serial) on Mac OS X 10.5.7 w/ gcc, Intel Fortan 11.0 and MKL 10.0
To: "AMBER Mailing List" <>

After much agony, I was able to successfully compile Amber 10 serial
with ifort and the MKL using the following procedure.

1) ./configure_amber -nopar -nosanderidc ifort_macosx

2) in config_amber.h,
a) add -xHost to FFLAGS and FOPTFLAGS
b) change the LOADLIB line, as so:
LOADLIB= -L/Library/Frameworks/Intel_MKL.framework/Versions/Current/
lib/32 \
libmkl_solver_sequential.a \
-lmkl_intel -lmkl_sequential -lmkl_core -lmkl_lapack -lguide -lpthread

Now, onto a parallel (SMP) build!

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