[gmx-users] gromacs with altix and mpich
ramorimabreu at gmail.com
Mon Sep 25 16:39:14 CEST 2006
I have trying to install gromacs-3.3.1 in SGI Altix 3000 machine
Mpich-1.2.7p1 was compiled with the follow parameters:
Mpi was tested running NAS benchmark.
Serial Gromacs runs with no problem, but parallel not works.
Gromacs was compiled with:
./configure --enable-mpi --program-suffix="_mpi_f" --prefix=/usr/local/gromacs
When I try to run (water example):
1. grompp_mpi_f -np 1
2. mpich -np 1 /usr/local/gromacs/bin/mdrun_mpi_f
1. grompp_mpi_f -np 8
2. mpich -np 8 /usr/local/gromacs/bin/mdrun_mpi_f
I receive the message:
Child process died unexpectedly from signal 11
/usr/local/mpich/bin/mpirun: line 1: 7656 Aborted
Please, someone knows how to solve this problem?
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