[gmx-developers] block_tx.c error on 3.3_rc3

[Yiannis]

Thanks for the reply,
YEs I have more than one job to run, it was a kind of "exercice" to 
test if it is possible, mainly because we have a few "old and slow" 
machines that would be interesting to put together on one job and I 
wanted first to test on two fast but different.
About the grompp bug on 3.3_rc3, if grompp and mdrun work as usual I 
can presume I am not concerned or is it a kind of bug that can pass 
unnoticed?
Ioannis

Le 4 oct. 05, à 08:42, Erik Lindahl a écrit :

> Hi,
>
> Your machines are both running different architectures (x86_64 and 
> i686) and different operating systems.
>
> In theory it is still possible to use both of them, but you must make 
> sure the correct mdrun_mpi binary compiled for each of them, you must 
> take care to load balance due to the speed difference, etc.
>
> In practice I'm not sure it's worth it, since you probably have more 
> jobs to run anyway.
>
> There is a bug in 3.3_rc3 affecting grompp on some machine/compiler 
> combinations, which has been fixed in CVS.
>
> Cheers,
>
> Erik
>
>
> On Oct 4, 2005, at 2:07 AM, Yiannis wrote:
>
>> Hello,
>> I try to run in parallel between two different machines, both dual 
>> Xeon, one is 2x2.8GHz i686 with Mandrake, the other is 2x3.2GHz 
>> x86_64 with Suse.
>> Is it possible to run on the 4 CPUs?
>> After reading the thread on the list I installed the 3.3_rc3 tarball 
>> but when I try:
>>
>> grompp -v -np 4
>> mpirun -v -np4 mdrun_mpi -v -np 4
>>
>> on the d.villin benchmark I get the block_tx.c error:
>>
>> Reading file topol.tpr, VERSION 3.3_rc3 (single precision)
>> -------------------------------------------------------
>> Program mdrun_mpi, VERSION 3.3_rc3
>> Source code file: block_tx.c, line: 74
>>
>> Fatal error:
>> 0: size=672, len=840, rx_count=0
>>
>> -------------------------------------------------------
>>
>> I tried to run on two CPU on the same machine, it works with no 
>> problem, I tried also to run on two CPUs, one in each machine and I 
>> then have the same block_tx error.
>>
>> So, is the problem coming from the heterogeneous environment and I 
>> should stop trying, or it is supposed to work and in that case how?
>>
>> Thanks for any help,
>>
>> Ioannis Nicolis
>>
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