[gmx-users] mpi and acml compiling

[Andrey V. Golovin]

Hi All
Yes Yang Ye in my test no difference improvement with acml too (64 bit 
opteron)
BUT
A huge difference between 3.2.1 version and CVS (last one) looks like 
CVS about 2 times faster .... how it could be???


leafyoung81-group at yahoo.com wrote:
> In my test, ACML did not offer any difference in
> performance (32 bit) on Opteron platform. Interested
> to know what you have got.
> 
> Yang Ye
> 
> --- "Andrey V. Golovin" <golovin at genebee.msu.su>
> wrote:
> 
> 
>>Hi all
>>first question is : did somebody tried to build
>>gromacs with ACML
>>second question: I managed to get binaries, non mpi
>>version work fine, 
>>BUT mpi version complies about :
>>error while loading shared libraries: libacml.so:
>>cannot open shared 
>>object file: No such file or directory
>>
>>any ideas?
>>Best regards, Andrey
>>-- 
>>
> 
> -----------------------------------------------------------------
> 
>>Andrey V. Golovin
>>Ph.D,Professor assistant    tel: (095) 939-5305
>>Bioengineering and
>>Bioinformatics Department
>>Moscow State University     fax: (095) 939-3181
>>119899 Moscow            E-mail:
>>golovin at genebee.msu.su
>>Russia                      web:
>>http://rnp-group.genebee.msu.su
>>
> 
> -----------------------------------------------------------------
> 
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-- 
-----------------------------------------------------------------
Andrey V. Golovin
Ph.D,Professor assistant    tel: (095) 939-5305
Bioengineering and
Bioinformatics Department
Moscow State University     fax: (095) 939-3181
119899 Moscow            E-mail: golovin at genebee.msu.su
Russia                      web: http://rnp-group.genebee.msu.su
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