lina wrote:
Hi,
I am confused, why the job is running,
but they did not write the .edr, .log .xtc ... files.
Everything showed so normal, just not writing,
when I used thread, all is fine, the writing is normal.
just use mpi, I tried different nodes, still not work, now two hours
later, still no writing, just running.
Thanks for providing any clue for me to examine.
Sounds like your MPI implementation is broken or you haven't issued the command
right. If you have a test command that you know should work, run that.
Otherwise, it's impossible to know if the problem is with Gromacs or something
external. If you compiled with threading support, but not MPI (in a separate
binary) then MPI will not work on the thread-enabled executable.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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