[gmx-users] PME in CVS

Andrey V. Golovin golovin at genebee.msu.su
Thu Sep 8 12:38:10 CEST 2005


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
-----------------------------------------------------------------



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