Amit Choubey wrote:
Hi everyone,
I have the gromacs mpi version on my system and everything in the
simulation works fine until i get to mdrun_mpi and when i use this
executable the following pops error comes up
MX:hpc-login2:mx_init:querying driver:error 5(errno=2):No MX device
entry in /dev.
Then i tried the to do mdrun_mpi -h on the terminal and the same thing
comes out.
MX:hpc-login2:mx_init:querying driver:error 5(errno=2):No MX device
entry in /dev.
Is this an installation problem? I am also not able to find the online
manual for mpi version of gromacs, could someone send me the link?
Because MPI only applies to mdrun, so there's no need for a separate manual.
All the information for mdrun applies to mdrun_mpi, except that it can be
executed in parallel.
It looks like there is either a problem with the MPI implementation of the
machine, or you're calling the command wrong. If you can post your command line
or the contents of whatever submission script you might be using, we might be
able to implicate (or rule out) the latter.
-Justin
Thank you,
Amit
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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