[gmx-users] PME in CVS

[Andrey V. Golovin]

Hi Erik
I got access to frontend, so for mpi version of RLC error is:

Reading file topol.tpr, VERSION 3.3_rc1 (single precision)
-------------------------------------------------------
Program mdrun_mpi, VERSION 3.3_rc1
Source code file: block_tx.c, line: 74

Fatal error:
0: size=4, len=8, rx_count=0

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

"I'm Gonna Get Medieval On Your Ass" (Pulp Fiction)

Error on node 1, will try to stop all the nodes
Halting parallel program mdrun_mpi on CPU 1 out of 2

Non-mpi version works ok
Andrey



Erik Lindahl wrote:
> 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
>> http://www.gromacs.org/mailman/listinfo/gmx-users
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>>
> 
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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
-----------------------------------------------------------------