[gmx-users] mpich - mdrun problem

[Rainer Boeckmann]

...the below described problem appeared due to an erroneous installation 
of the mpich libraries. Only gromacs found this error:-)
best,
rainer

Rainer Boeckmann wrote:

> Dear all:
>
> for the following problem I couldn't yet find an answer on the list:
>
> Starting a parallel job (gromacs 3.2.1., fftw 2.1.5) on a Gigabit 
> network (Opterons, Redhat:-(, mpich 1.2.5.2, 64bit installation:-() I 
> get a "Connection refused" error. All mpich-tests work fine, the 
> problem only appears when using gromacs, independent of the number of 
> processors.  Any ideas?
>
> Thanks!
> rainer
>
>
>
> $/opt/64/mpich-1.2.5.2-gcc/bin/mpirun -v -np 2 -batch  -machinefile 
> nodes.dat mdrun -s topol.tpr
> running 
> /home/bioc/rainer/parallel/gromacs-test/x86_64-unknown-linux-gnu/bin/mdrun 
> on 2 LINUX ch_p4 processors
> Created /home/bioc/rainer/projects/aggregation/np2/PI15062
> compute-00-00.local: Connection refused
> p0_15151:  p4_error: Child process exited while making connection to 
> remote process on compute-00-00: 0
> /opt/64/mpich-1.2.5.2-gcc/bin/mpirun: line 1: 15151 Broken 
> pipe             mdrun "-s" "topol.tpr" -p4pg PI15062 -p4wd 
> /home/bioc/rainer/
>

-- 
__________________________________________________________
Dr. Rainer Böckmann
Computational Structural Biology - Biochemistry Department
University of Zürich
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
tel:    ++41-(0)1-63-555-93 - fax:    ++41-(0)1-63-568-62
email: rainer at bioc.unizh.ch
http://www.biochem-caflisch.unizh.ch/rainer/
___________________________________________________________