[gmx-users] Re-compile Gromacs Program?

Chih-Ying Lin chihying2008 at gmail.com
Mon Mar 7 22:05:36 CET 2011

I found the Gromacs Program could not do the parallel computing
since the staff of the compter center in my school upgraded the intel
compiler to v 12, and rebuilt the mpich build with intel. I requested them
to recompile the Gromacs Program but they rejected and they answered that
the updated intel compiler is not the issue for the failure of running the
parallel computing of Gromacs Program.

I listed the bounced-back of summited job to the computer center.

Warning: no access to tty (Bad file descriptor).
Thus no job control in this shell.
/usr/bin/xmgrace: No such file or directory.
/usr/usc/mpich/default/mx-intel/setup.csh: line 30: syntax error: unexpected
end of file
/usr/usc/gromacs/default/setup.csh: line 19: syntax error: unexpected end of
/usr/usc/intel/default/setup.csh: line 24: syntax error: unexpected end of
mpiexec_hpc1982: cannot connect to local mpd (/tmp/
10429754.hpc-pbs.usc.edu/mpd2.console_hpc1982_chihying); possible causes:
  1. no mpd is running on this host
  2. an mpd is running but was started without a "console" (-n option)
How does the problem happen?
Thank you
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