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

Erik Lindahl lindahl at sbc.su.se
Tue Oct 4 08:42:10 CEST 2005


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.



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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