[gmx-users] PME in CVS

[Erik Lindahl]

Hi,

The block_tx error has been fixed in both the head and 3.3 branch of  
CVS. We'll have a rc2 out as soon as the QM/MM stuff is tested, but  
in the meantime you can try compiling without MPI, or updating CVS to  
the latest version.

Cheers,

Erik

On Sep 8, 2005, at 12:38 PM, Andrey V. Golovin wrote:

> Hi Eric
> CVS version is 20050831
> I tried RLC 3.3 but  mpi run gives some error like Fatal error in  
> block.c ...
> sorry I can not give exact error message now, cluster frontend is  
> unreachable.
> Andrey
>
> Erik Lindahl wrote:
>
>> Hi Andrey,
>> For CVS errors we need to know the exact version. However, I'd   
>> recommend downloading the release candidate for 1.1 instead:
>> ftp://ftp.gromacs.org/pub/beta/gromacs-3-3_rc1.tar.gz
>> Cheers,
>> Erik
>> On Sep 8, 2005, at 12:13 PM, Andrey V. Golovin wrote:
>>
>>> Hi all.
>>> I faced to strange problem. Then I use CVS version all PME   
>>> simulation gives me a LINCS warnings and system blows up in few   
>>> steps. BUT if I change PME to Cut-off everything is runs ok...
>>> With 3.2.1 version everything is ok.
>>> May be I missed something
>>> 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
> -----------------------------------------------------------------
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
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