AMBER: AmberTools on OS X Leopard with Intel compilers

From: Yu Chen <chen.hhmi.umbc.edu>
Date: Fri, 18 Apr 2008 15:17:37 -0400 (EDT)

Hello,

We are tring to compile/test/install AmberTools as the first step in Amber
10 installation on a xserver with Leopard with Intel compiler (10.1.014).
We don't have g77/gfortran installed on it.

1. The "configure_at icc" finished fine except for the g77 part(since we
don't have g77/gfortran installed yet), which says " We will be unable to
compile mopac or resp", since we are not going to use those two for now,
we assume that we can ignore it for now, is it right? Or do we have to have
it compiled for everything to work?

2. If we can ignore the "mopac and resp" for now, then I did "make -f
Makefile_at", and it generated lots of output, then at the end with:
Completed installation of AmberTools, version 1.
So we assume it compiled successfully. Although one strange thing, I
specified the complier as 'icc' as you can see in first step, but some
progames still used 'gcc' and 'g++' as compilers (like Makefile in
gleap/freelib/readline), is this normal? Do those programs have to be
compiled by 'gcc'?

3. After the 'make', we did 'make -f Makefile_at test' in the 'test'
directory, but it gave out error right away with these:
#######################################
( cd nab; make test )
=====================================================
Running test to make dna duplex:

/bin/sh: line 1: 43282 Segmentation fault ./duplex < duplex.in
make[1]: *** [duplex_test] Error 139
make: *** [test.nab] Error 2
#########################################

Thank you in advance!

Best,
CY
===========================================
Yu Chen
Howard Hughes Medical Institute
Chemistry Building, Rm 182
University of Maryland at Baltimore County
1000 Hilltop Circle
Baltimore, MD 21250

phone: (410)455-1728 (primary)
         (410)455-6347 (secondary)
fax: (410)455-1174
email: chen.hhmi.umbc.edu
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Received on Fri Apr 18 2008 - 21:20:26 PDT
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