Re: [AMBER-Developers] recommended compilers for MacOSX

From: Thorsten M Woelfle <twoelfle.sdsc.edu>
Date: Wed, 20 Apr 2011 01:43:56 +0200

Hi,

The parallel results:

Finished test suite for AmberTools at Wed Apr 20 01:39:44 CEST 2011.

      33 file comparisons passed
       0 file comparisons failed
       0 tests experienced errors
Test log file saved as logs/test_at_parallel/2011-04-20_01-23-51.log
No test diffs to save!

mpich2-1.2.1p1 compiled with the same compiler, see below.
MacPorts base version 1.9.2 (latest)

All the best

Thorsten


On Apr 20, 2011, at 12:03 AM, Thorsten M Woelfle wrote:

> Hi,
>
> Just a quick feedback. I am running mac osx 10.6.7 + macports and just checked out remotes/origin/at15-with-patches:
>
> Finished test suite for AmberTools at Tue Apr 19 23:50:45 CEST 2011.
>
> 500 file comparisons passed
> 0 file comparisons failed
> 0 tests experienced errors
> Test log file saved as logs/test_at_serial/2011-04-19_23-19-37.log
> No test diffs to save!
>
>
>> gfortran -v
> Using built-in specs.
> Target: x86_64-apple-darwin10
> Configured with: ../gcc-4.4.5/configure --prefix=/opt/local --build=x86_64-apple-darwin10 --enable-languages=c,c++,objc,obj-c++,java,fortran --libdir=/opt/local/lib/gcc44 --includedir=/opt/local/include/gcc44 --infodir=/opt/local/share/info --mandir=/opt/local/share/man --with-local-prefix=/opt/local --with-system-zlib --disable-nls --program-suffix=-mp-4.4 --with-gxx-include-dir=/opt/local/include/gcc44/c++/ --with-gmp=/opt/local --with-mpfr=/opt/local --enable-stage1-checking --disable-multilib --enable-fully-dynamic-string
> Thread model: posix
> gcc version 4.4.5 (GCC)
>
>
>> gcc -v
> Using built-in specs.
> Target: x86_64-apple-darwin10
> Configured with: ../gcc-4.4.5/configure --prefix=/opt/local --build=x86_64-apple-darwin10 --enable-languages=c,c++,objc,obj-c++,java,fortran --libdir=/opt/local/lib/gcc44 --includedir=/opt/local/include/gcc44 --infodir=/opt/local/share/info --mandir=/opt/local/share/man --with-local-prefix=/opt/local --with-system-zlib --disable-nls --program-suffix=-mp-4.4 --with-gxx-include-dir=/opt/local/include/gcc44/c++/ --with-gmp=/opt/local --with-mpfr=/opt/local --enable-stage1-checking --disable-multilib --enable-fully-dynamic-string
> Thread model: posix
> gcc version 4.4.5 (GCC)
>
> All the best
>
> Thorsten
>
> (... dont ask, I have a week of holidays and starting tomorrow I am 5 days with no electricity in the alps ;) )
>
>
> On Apr 19, 2011, at 10:03 PM, David A Case wrote:
>
>> Hi everyone:
>>
>> I'm starting to see comments (so far, sent to me personally) about
>> compiler/OS combinations that fail for MacOSX. I hadn't looked at
>> http://amberonmac.blogspot.com/ for a while, but that looks like some good
>> info. But I'd like to get developers' input on known "good" combinations
>> for gnu compilers (no intel, pgi, etc for now please).
>>
>> For example, in spite of Mengjuei's bad-mouthing of mac ports, I've never had
>> problems there. For me, with Mac OS 10.6.6, I use mac ports gcc44 (i.e.
>> /opt/local/bin/gcc-mp-4.4) and corresponding gfortran. I've never seen any
>> problems, and downloading/installing them was supersimple, so I'd be tended to
>> recommend that path.
>>
>> Mengjuei indicates that the gcc+gfortran package at hpc.sf.net works for him
>> (no OS revision is indicated). The amberonmac blog cited above has pretty
>> complete details.
>>
>> What else seems to work? Is anyone running 10.6.7? I am still afraid to
>> upgrade, although with all the virtual machines around these days it probably
>> would not be that bad.
>>
>> Also, if anyone is still at 10.5 and has recommendations there, I'd appreciate
>> it. (Again: for me I went with mac ports from the very beginning, and never
>> saw the problems other people are seeing.)
>>
>> Also, if you have examples of specific error messages that arise when "bad"
>> compilers are used, we might try to keep a registry of those somewhere, to
>> help people out who run into them.
>>
>> Comments from "real" mac people are welcome.
>>
>> ...thx...dac
>>
>>
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>> AMBER-Developers.ambermd.org
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>
>
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Received on Tue Apr 19 2011 - 17:00:02 PDT
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