Dear:
Our institute got a IBM Power 775 cluster and it claimed to be very
good. However, it doesn't support g_tune_pme. I use the following script
for job submission:
#@ job_name = gromacs_job
#@ output = gromacs.out
#@ error = gromacs.err
#@ class = kdm
#@ node = 4
#@ tasks_per_node = 32
#@ wall_clock_limit = 01:00:00
#@ network.MPI = sn_all,not_shared,US,HIGH
#@ notification = never
#@ environment = COPY_ALL
#@ job_type = parallel
#@ queue
mpiexec -n 128 /opt/gromacs/4.5.5/bin/mdrun -nosum -dlb yes -v -s md.tpr
it is only 7 ns/day.
However, in another cluster with the same system, Core number and
parameters, I can get up to 30 ns/day.
Does anybody have any advices for this issue?
thank you very much
Albert
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Only plain text messages are allowed!
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
