Custom Search
-- Shahid. On Thu, Jul 7, 2011 at 4:08 PM, mish <smncbr.gmail.com> wrote: > Thank a lot. configure_mpich2 worked really well but the problem I have now > is something strange. I can see some reports about it earlier but no > solution or further discussion in the post. Also in my sace sander.MPI > works > well when I test it for one thread: > sander.MPI -O -i mdt1.in -o md1.out -p disach4.top -c optim1_5.rst -x > test.trj > > then it works. when i use it with mpiexec fir 5 thread in a pbs it produces > error : > > > mpiexec_deca12-2.cmp.mnx.jp: cannot connect to local mpd > (/tmp/mpd2.console_mish); possible causes: > 1. no mpd is running on this host > 2. an mpd is running but was started without a "console" (-n option) > In case 1, you can start an mpd on this host with: > mpd & > and you will be able to run jobs just on this host. > For more details on starting mpds on a set of hosts, see > the MPICH2 Installation Guide. > > What could be the possible mistake ? > > Sincerely > Mish > > On Wed, Jul 6, 2011 at 9:36 PM, David A Case <case.biomaps.rutgers.edu > >wrote: > > > On Wed, Jul 06, 2011, mish wrote: > > > > > > Dies anyone have some idea how to properly compile MPICH so that it can > > work > > > here or how to modify ./configure to make in working in this condition. > > > > Please see the "configure_openmpi" or "configure_mpich2" scripts in > > $AMBERHOME/AmberTools/src. These configure and install MPI versions that > > should work with Amber, and will not interfere with other MPI > installations > > you may have. > > > > ...dac > > > > > > _______________________________________________ > > AMBER mailing list > > AMBER.ambermd.org > > http://lists.ambermd.org/mailman/listinfo/amber > > > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber > _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Thu Jul 07 2011 - 07:30:08 PDT