[gmx-users] Installation problems on Mac OSX 10.2.6

[Taeho Kim]

Hi
Gromacs 3.1.5_pre1  installed on our Mac are much better than 3.1.4.  I had about 30% better performance from lipid box of 20 000 atoms.  Isn't it great, esp. for Mac users? 
Thank you Erik!  ( I guess you worked on this upgrade.) 

Taeho

-----원본 메시지-----
보낸 사람: Erik Lindahl <lindahl at stanford.edu>
받는 사람: gmx-users at gromacs.org <gmx-users at gromacs.org>
참조: Lynn F. Ten Eyck <lteneyck at sdsc.edu>
날짜: 2003년 5월 23일 금요일 오후 3:55
제목: Re: [gmx-users] Installation problems on Mac OSX 10.2.6


>Hi Lynn,
>
>
>On Friday, May 23, 2003, at 12:26  PM, Lynn F. Ten Eyck wrote:
>
>> I downloaded the latest source files last night to install Gromacs 
>> 3.1.4.
>> I successfully installed fftw.  Then I hit a few problems . . .
>>
>> 1.  ./configure could not identify my system.  I went to ftp.gnu.org 
>> and
>> downloaded the latest versions of config.guess and config.sub, which
>> identified powerpc-apple-darwin6.6 (correct, the computer is a 
>> Powerbook
>> G4).
>
>Good thinking - we've already updated these files in the 3.1.5_pre1 
>release.
>
>>
>> 2.  After successful ./configure I tried make, which died in gmxlib 
>> with
>> the following:
>>
>> cc -DHAVE_CONFIG_H -I. -I. -I../../src -I/usr/X11R6/include
>> -I../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O6
>> -fomit-frame-pointer -finline-functions -Wall -Wno-unused 
>> -no-cpp-precomp
>> -faltivec -mcpu=powerpc -fno-schedule-insns -c fnbf.c
>> -Wp,-MD,.deps/fnbf.TPlo -o fnbf.o
>> ../../include/ppc_altivec.h: In function `set_non_java_mode':
>> ../../include/ppc_altivec.h:60: argument 0 to built-in function
>> `vec_splat_u32' does not satisfy constraint A
>> make[3]: *** [fnbf.lo] Error 1
>>
>> I could probably get around this error by turning off the 
>> vectorization,
>> but I suspect that would be a huge performance hit.
>>
>> Has anybody else solved this problem?
>>
>
>This is a bug in Apple's version of gcc that I have reported (and they 
>confirmed it). You might want to download the 3.1.5_pre1 release from 
>ftp.gromacs.org/pub/beta, or just remove the contents of the routine 
>set_non_java_mode() - setting this flag only improves performance by a 
>percent or so anyway.
>
>Cheers,
>
>Erik
>
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