[gmx-users] lam and dual pentium box
sschirm at student.ethz.ch
sschirm at student.ethz.ch
Mon Nov 25 14:02:56 CET 2002
Hello gmx people,
I have troubles running a parallel MD-Run on a single Pentium dual box
running Linux (SuSE). Maybe someone used the same setup as i do or at
least a setup close to it.
installation:
lam-6.5.8-usysv.1.i386.rpm
(the lam version from the gromacs page wasn't available anymore.)
fftw-2.1.3-2.i386.rpm and fftw-lammpi-2.1.3-2.i386.rpm
(as recommended)
gromacs-3.1.4-1.i386.rpm and gromacs-mpi-3.1.4-1.i386.rpm
Everything runs fine using mdrun (gmxdemo). Then i tried to get both
processors working. I startet lam using lamboot, which resulted in the
following output looking perfectly adequate:
LAM 6.5.8/MPI 2 C++/ROMIO - Indiana University
Executing hboot on n0 (localhost - 2 CPUs)...
topology done
Then I grabbed a part out of the gmxdemo, and addapted it for parallel
run. I considered the parameter globbing problem occuring when using
mdrun_mpi with mpirun, as mentioned in other posts.
mpirun C mdrun_mpi -np 2 -s cpeptide_md -o cpeptide_md -c
cpeptide_after_md -v
This resulted in no output at all, and a crash of lam deamon. I tried it
several
times, booting lam again, with different parameters to mpirun, as -c 2,
or -np 2
without success...
Any hints or notes are highly welcome!
Thanks
Simon
More information about the gromacs.org_gmx-users
mailing list